ara-A-homocysteine
TL;DR: ara-A-homocysteine (CAS 6337-82-2) is a chemical compound with molecular formula C14H20N6O5S and molecular weight 384.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-4-[[(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
Also Known As: Ara-ahcy, Ara-A-homocysteine, S-adenosylhomocysteine, KST-1A6906, 5,6-dihydrobenzo[h]cinnolin-3-ol
| Molecular Formula | C14H20N6O5S |
|---|---|
| Molecular Weight | 384.12 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.12158 |
| Heavy Atoms | 26 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 6337-82-2 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N |
| InChIKey | ZJUKTBDSGOFHSH-HSOHWKKZSA-N |
Product Overview
ara-A-homocysteine (CAS 6337-82-2), with molecular formula C14H20N6O5S and molecular weight 384.12 g/mol. IUPAC: (2S)-2-amino-4-[[(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid.
Chemical Property Profile of ara-A-homocysteine
Property Insights of ara-A-homocysteine
The XLogP value of -3.5 indicates that ara-A-homocysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.0 Ų indicates high polarity, suggesting ara-A-homocysteine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ara-A-homocysteine has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ara-A-homocysteine?
The CAS number of ara-A-homocysteine is 6337-82-2.
What is the molecular formula of ara-A-homocysteine?
The molecular formula of ara-A-homocysteine is C14H20N6O5S.
What is the molecular weight of ara-A-homocysteine?
The molecular weight of ara-A-homocysteine is 384.12 g/mol.
Where can I buy ara-A-homocysteine?
You can request a quote for ara-A-homocysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ara-A-homocysteine?
Yes, KEHONG BIO provides custom synthesis services for ara-A-homocysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.