S-3'-deoxy-3-deazaadenosylhomocysteine
TL;DR: S-3'-deoxy-3-deazaadenosylhomocysteine (CAS 110880-45-0) is a chemical compound with molecular formula C15H21N5O4S and molecular weight 367.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-4-[[(2S,4R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-hydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
Also Known As: 3-Ddado-hcy, S-3'-Deoxy-3-deazaadenosylhomocysteine, KST-1A0918, (2s)-2-amino-4-({[(2s,4r,5r)-5-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-4-hydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid(non-preferred name), (2S)-2-amino-4-[[(2S,4R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-hydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
| Molecular Formula | C15H21N5O4S |
|---|---|
| Molecular Weight | 367.13 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.13144 |
| Heavy Atoms | 25 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 110880-45-0 |
|---|---|
| SMILES | C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2C=CN=C3N)CSCC[C@@H](C(=O)O)N |
| InChIKey | QJGGZPIWCXHXGB-HFAYUQKSSA-N |
Product Overview
S-3'-deoxy-3-deazaadenosylhomocysteine (CAS 110880-45-0), with molecular formula C15H21N5O4S and molecular weight 367.13 g/mol. IUPAC: (2S)-2-amino-4-[[(2S,4R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-hydroxyoxolan-2-yl]methylsulfanyl]butanoic acid.
Chemical Property Profile of S-3'-deoxy-3-deazaadenosylhomocysteine
Property Insights of S-3'-deoxy-3-deazaadenosylhomocysteine
The XLogP value of -3.1 indicates that S-3'-deoxy-3-deazaadenosylhomocysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting S-3'-deoxy-3-deazaadenosylhomocysteine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-3'-deoxy-3-deazaadenosylhomocysteine has 4 hydrogen bond donor(s) and 9 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'-deoxy-3-deazaadenosylhomocysteine?
The CAS number of S-3'-deoxy-3-deazaadenosylhomocysteine is 110880-45-0.
What is the molecular formula of S-3'-deoxy-3-deazaadenosylhomocysteine?
The molecular formula of S-3'-deoxy-3-deazaadenosylhomocysteine is C15H21N5O4S.
What is the molecular weight of S-3'-deoxy-3-deazaadenosylhomocysteine?
The molecular weight of S-3'-deoxy-3-deazaadenosylhomocysteine is 367.13 g/mol.
Where can I buy S-3'-deoxy-3-deazaadenosylhomocysteine?
You can request a quote for S-3'-deoxy-3-deazaadenosylhomocysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-3'-deoxy-3-deazaadenosylhomocysteine?
Yes, KEHONG BIO provides custom synthesis services for S-3'-deoxy-3-deazaadenosylhomocysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.