S-(3-Deazaadenosyl)homocysteine
TL;DR: S-(3-Deazaadenosyl)homocysteine (CAS 53199-57-8) is a chemical compound with molecular formula C15H21N5O5S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-4-[[(2S,3S,4R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
Also Known As: 3-Deazaadenosylhomocysteine, S-(3-Deazaadenosyl)homocysteine, S-(3-Deazaadenosyl)-L-homocysteine, S-(3-Deazaadenosyl)-L-homocysteine monohydrate, (2S)-2-amino-4-[[(2S,3S,4R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
| Molecular Formula | C15H21N5O5S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.12634 |
| Heavy Atoms | 26 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 53199-57-8 |
|---|---|
| SMILES | C1=CN=C(C2=C1N(C=N2)C3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N |
| InChIKey | KXHTUDZDRGHVIU-AUXCFHMMSA-N |
Product Overview
S-(3-Deazaadenosyl)homocysteine (CAS 53199-57-8), with molecular formula C15H21N5O5S and molecular weight 383.13 g/mol. IUPAC: (2S)-2-amino-4-[[(2S,3S,4R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid.
Chemical Property Profile of S-(3-Deazaadenosyl)homocysteine
Property Insights of S-(3-Deazaadenosyl)homocysteine
The XLogP value of -4.0 indicates that S-(3-Deazaadenosyl)homocysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 195.0 Ų indicates high polarity, suggesting S-(3-Deazaadenosyl)homocysteine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(3-Deazaadenosyl)homocysteine has 5 hydrogen bond donor(s) and 10 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-(3-Deazaadenosyl)homocysteine?
The CAS number of S-(3-Deazaadenosyl)homocysteine is 53199-57-8.
What is the molecular formula of S-(3-Deazaadenosyl)homocysteine?
The molecular formula of S-(3-Deazaadenosyl)homocysteine is C15H21N5O5S.
What is the molecular weight of S-(3-Deazaadenosyl)homocysteine?
The molecular weight of S-(3-Deazaadenosyl)homocysteine is 383.13 g/mol.
Where can I buy S-(3-Deazaadenosyl)homocysteine?
You can request a quote for S-(3-Deazaadenosyl)homocysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(3-Deazaadenosyl)homocysteine?
Yes, KEHONG BIO provides custom synthesis services for S-(3-Deazaadenosyl)homocysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.