阿扎那韋
TL;DR: 阿扎那韋 (CAS 229975-97-7) is a chemical compound with molecular formula C38H52N6O7 and molecular weight 704.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿扎那韋
methyl N-[(2S)-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, Latazanavir, Zrivada, Reyataz, atazanavirum
| Molecular Formula | C38H52N6O7 |
|---|---|
| Molecular Weight | 704.39 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 704.3898 |
| Heavy Atoms | 51 |
| Complexity | 1110.0 |
| Solubility | Free base slightly soluble (4-5 mg/mL) |
Chemical Identifiers
| CAS Number | 229975-97-7 |
|---|---|
| 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-GASGPIRDSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿扎那韋 (CAS 229975-97-7), with molecular formula C38H52N6O7 and molecular weight 704.39 g/mol. IUPAC: methyl N-[(2S)-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.
Chemical Property Profile of 阿扎那韋
Property Insights of 阿扎那韋
The XLogP value of 5.6 indicates that 阿扎那韋 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting 阿扎那韋 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 阿扎那韋 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 阿扎那韋?
The CAS number of 阿扎那韋 is 229975-97-7.
What is the molecular formula of 阿扎那韋?
The molecular formula of 阿扎那韋 is C38H52N6O7.
What is the molecular weight of 阿扎那韋?
The molecular weight of 阿扎那韋 is 704.39 g/mol.
Where can I buy 阿扎那韋?
You can request a quote for 阿扎那韋 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿扎那韋?
Yes, KEHONG BIO provides custom synthesis services for 阿扎那韋 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.