S-(6-Purinyl)homocysteine
TL;DR: S-(6-Purinyl)homocysteine (CAS 136040-01-2) 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-amino-4-(7H-purin-6-ylsulfanyl)butanoic acid
Also Known As: S-(6-Purinyl)homocysteine, S-PHC, S-9H-Purin-6-ylhomocysteine, S-1H-Purin-6-yl-L-homocysteine, S-(9H-Purin-6-yl)-L-homocysteine
| Molecular Formula | C9H11N5O2S |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.06334 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 136040-01-2 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=NC=N2)SCC[C@@H](C(=O)O)N |
| InChIKey | ZIJLTJOOMWRTOD-YFKPBYRVSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(6-Purinyl)homocysteine (CAS 136040-01-2), with molecular formula C9H11N5O2S and molecular weight 253.06 g/mol. IUPAC: (2S)-2-amino-4-(7H-purin-6-ylsulfanyl)butanoic acid.
Chemical Property Profile of S-(6-Purinyl)homocysteine
Property Insights of S-(6-Purinyl)homocysteine
The XLogP value of -2.6 indicates that S-(6-Purinyl)homocysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting S-(6-Purinyl)homocysteine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(6-Purinyl)homocysteine 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 S-(6-Purinyl)homocysteine?
The CAS number of S-(6-Purinyl)homocysteine is 136040-01-2.
What is the molecular formula of S-(6-Purinyl)homocysteine?
The molecular formula of S-(6-Purinyl)homocysteine is C9H11N5O2S.
What is the molecular weight of S-(6-Purinyl)homocysteine?
The molecular weight of S-(6-Purinyl)homocysteine is 253.06 g/mol.
Where can I buy S-(6-Purinyl)homocysteine?
You can request a quote for S-(6-Purinyl)homocysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(6-Purinyl)homocysteine?
Yes, KEHONG BIO provides custom synthesis services for S-(6-Purinyl)homocysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.