198904-86-8

Name Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir
CAS 198904-86-8
EINECS(EC#) 1592732-453-0
Molecular Formula C32H42N4O5
MDL Number MFCD17019309
Molecular Weight 562.7
MOL File 198904-86-8.mol

Chemical Properties

Appearance White Solid
Melting point  185-186℃
density  1.157
vapor pressure  0-0Pa at 25℃
storage temp.  Refrigerator
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 10.05±0.50(Predicted)
color  Off-White to Pale Beige
InChIKey KYSDBVSJLBOZDZ-NSOVKSMOSA-N
SMILES N(C(OC(C)(C)C)=O)N(C[C@H](O)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1)CC1=CC=C(C2=NC=CC=C2)C=C1
LogP 3.9 at 30℃ and pH6.9
CAS DataBase Reference 198904-86-8

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
Signal word  Warning
Hazard statements  H319-H373
Precautionary statements  P264-P280-P305+P351+P338-P337+P313P-P260-P314-P501

Hazard Information

Supplier