S-adenosylhomocysteine
TL;DR: S-adenosylhomocysteine (CAS 58976-18-4) 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.
2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
Also Known As: S-adenosylhomocysteine, S-adenosyl-homocysteine, S-adenosyl-dl-homocysteine, S-(5'-adenosyl)-L-homocysteine, Adenosine, 5'-S-(3-amino-3-carboxypropyl)-5'-thio-
| 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 | 58976-18-4 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCC(C(=O)O)N)O)O)N |
| InChIKey | ZJUKTBDSGOFHSH-ZRURSIFKSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-adenosylhomocysteine (CAS 58976-18-4), with molecular formula C14H20N6O5S and molecular weight 384.12 g/mol. IUPAC: 2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid.
Chemical Property Profile of S-adenosylhomocysteine
Property Insights of S-adenosylhomocysteine
The XLogP value of -3.5 indicates that S-adenosylhomocysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.0 Ų indicates high polarity, suggesting S-adenosylhomocysteine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-adenosylhomocysteine 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 S-adenosylhomocysteine?
The CAS number of S-adenosylhomocysteine is 58976-18-4.
What is the molecular formula of S-adenosylhomocysteine?
The molecular formula of S-adenosylhomocysteine is C14H20N6O5S.
What is the molecular weight of S-adenosylhomocysteine?
The molecular weight of S-adenosylhomocysteine is 384.12 g/mol.
Where can I buy S-adenosylhomocysteine?
You can request a quote for S-adenosylhomocysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-adenosylhomocysteine?
Yes, KEHONG BIO provides custom synthesis services for S-adenosylhomocysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.