(3R,8S,9S,12S)-Atazanavir
TL;DR: (3R,8S,9S,12S)-Atazanavir (CAS 1332981-14-2) is a chemical compound with molecular formula C38H52N6O7 and molecular weight 704.3898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-[(2R)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Also Known As: Atazanavir, Reyataz, 3-epi Atazanavir, (3R,8S,9S,12S)-Atazanavir, Atazanavir R,S,S,S-diastereomer
Technical Specifications
| Molecular Formula | C38H52N6O7 |
| Molecular Weight | 704.3898 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 704.3898 Da |
| Heavy Atoms | 51 |
| Complexity | 1110.0 |
| SMILES | CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC |
| InChIKey | AXRYRYVKAWYZBR-IHZBLBIESA-N |
Chemical Property Profile of (3R,8S,9S,12S)-Atazanavir
Property Insights of (3R,8S,9S,12S)-Atazanavir
The XLogP value of 5.6 indicates that (3R,8S,9S,12S)-Atazanavir is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting (3R,8S,9S,12S)-Atazanavir may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3R,8S,9S,12S)-Atazanavir has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (3R,8S,9S,12S)-Atazanavir?
The CAS number of (3R,8S,9S,12S)-Atazanavir is 1332981-14-2.
What is the molecular formula of (3R,8S,9S,12S)-Atazanavir?
The molecular formula of (3R,8S,9S,12S)-Atazanavir is C38H52N6O7.
What is the molecular weight of (3R,8S,9S,12S)-Atazanavir?
The molecular weight of (3R,8S,9S,12S)-Atazanavir is 704.3898 g/mol.
Where can I buy (3R,8S,9S,12S)-Atazanavir?
You can request a quote for (3R,8S,9S,12S)-Atazanavir directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3R,8S,9S,12S)-Atazanavir?
Yes, CoreyChem provides custom synthesis services for (3R,8S,9S,12S)-Atazanavir and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.