![(2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid structure](/static/products/4360/436086-77-0.webp)
(2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid
TL;DR: (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid (CAS 436086-77-0) is a chemical compound with molecular formula C9H11N5O2S and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(6-amino-7H-purin-8-yl)sulfanyl]butanoic acid
Also Known As: BAS 05307942, 2-(6-Amino-9H-purin-8-ylsulfanyl)-butyric acid, (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid, (2S)-2-[(6-amino-7H-purin-8-yl)sulfanyl]butanoic acid, FX6
| Molecular Formula | C9H11N5O2S |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.06334 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 436086-77-0 |
|---|---|
| SMILES | CC[C@@H](C(=O)O)SC1=NC2=NC=NC(=C2N1)N |
| InChIKey | USXGXECUDHKQHW-BYPYZUCNSA-N |
Product Overview
(2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid (CAS 436086-77-0), with molecular formula C9H11N5O2S and molecular weight 253.06 g/mol. IUPAC: (2S)-2-[(6-amino-7H-purin-8-yl)sulfanyl]butanoic acid.
Chemical Property Profile of (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid
Property Insights of (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid. The TPSA of 143.0 Ų indicates high polarity, suggesting (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid?
The CAS number of (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid is 436086-77-0.
What is the molecular formula of (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid?
The molecular formula of (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid is C9H11N5O2S.
What is the molecular weight of (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid?
The molecular weight of (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid is 253.06 g/mol.
Where can I buy (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid?
You can request a quote for (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.