硫酸阿巴卡韦
TL;DR: 硫酸阿巴卡韦 (CAS 216699-07-9) is a chemical compound with molecular formula C28H38N12O6S and molecular weight 670.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸阿巴卡韦
bis([(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol);sulfuric acid
Also Known As: Abacavir sulfate, Ziagen, abacavir, Abacavir sulphate, Abamune
| Molecular Formula | C28H38N12O6S |
|---|---|
| Molecular Weight | 670.28 g/mol |
| LogP | 1.5318 |
| Topological Polar Surface Area | 287.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 670.2758 |
| Heavy Atoms | 47 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 216699-07-9 |
|---|---|
| SMILES | C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO.C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO.OS(=O)(=O)O |
| InChIKey | WMHSRBZIJNQHKT-FFKFEZPRSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫酸阿巴卡韦 (CAS 216699-07-9), with molecular formula C28H38N12O6S and molecular weight 670.28 g/mol. IUPAC: bis([(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol);sulfuric acid.
Chemical Property Profile of 硫酸阿巴卡韦
Property Insights of 硫酸阿巴卡韦
The XLogP value of 1.5318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫酸阿巴卡韦. The TPSA of 287.0 Ų indicates high polarity, suggesting 硫酸阿巴卡韦 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫酸阿巴卡韦 has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫酸阿巴卡韦?
The CAS number of 硫酸阿巴卡韦 is 216699-07-9.
What is the molecular formula of 硫酸阿巴卡韦?
The molecular formula of 硫酸阿巴卡韦 is C28H38N12O6S.
What is the molecular weight of 硫酸阿巴卡韦?
The molecular weight of 硫酸阿巴卡韦 is 670.28 g/mol.
Where can I buy 硫酸阿巴卡韦?
You can request a quote for 硫酸阿巴卡韦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸阿巴卡韦?
Yes, KEHONG BIO provides custom synthesis services for 硫酸阿巴卡韦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.