Pyridoxal homocysteine thiolactone enamine hydrochloride
TL;DR: Pyridoxal homocysteine thiolactone enamine hydrochloride (CAS 60888-98-4) is a chemical compound with molecular formula C12H15ClN2O3S and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-hydroxy-3-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2H-thiophen-5-one;hydrochloride
Also Known As: Pyridoxal homocysteine thiolactone enamine hydrochloride, 2(5H)-Thiophenone, 3-(((5-hydroxy-3-(hydroxymethyl)-2-methyl-4-pyridinyl)methyl)amino)-, monohydrochloride, 3-({[5-Hydroxy-3-(hydroxymethyl)-2-methylpyridin-4-yl]methyl}amino)thiophen-2(5H)-one--hydrogen chloride (1/1), 4-[[5-hydroxy-3-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]-2H-thiophen-5-one hydrochloride, RefChem:241819
| Molecular Formula | C12H15ClN2O3S |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 1.25662 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.0492 |
| Heavy Atoms | 19 |
| Complexity | 519.9411 |
Chemical Identifiers
| CAS Number | 60888-98-4 |
|---|---|
| SMILES | CC1=NC=C(C(=C1CO)CNC2=CCSC2=O)O.Cl |
Product Overview
Pyridoxal homocysteine thiolactone enamine hydrochloride (CAS 60888-98-4), with molecular formula C12H15ClN2O3S and molecular weight 302.05 g/mol. IUPAC: 4-[[5-hydroxy-3-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2H-thiophen-5-one;hydrochloride.
Chemical Property Profile of Pyridoxal homocysteine thiolactone enamine hydrochloride
Property Insights of Pyridoxal homocysteine thiolactone enamine hydrochloride
The XLogP value of 1.25662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridoxal homocysteine thiolactone enamine hydrochloride. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridoxal homocysteine thiolactone enamine hydrochloride. Following Lipinski's Rule of Five, Pyridoxal homocysteine thiolactone enamine hydrochloride has 3 hydrogen bond donor(s) and 6 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 Pyridoxal homocysteine thiolactone enamine hydrochloride?
The CAS number of Pyridoxal homocysteine thiolactone enamine hydrochloride is 60888-98-4.
What is the molecular formula of Pyridoxal homocysteine thiolactone enamine hydrochloride?
The molecular formula of Pyridoxal homocysteine thiolactone enamine hydrochloride is C12H15ClN2O3S.
What is the molecular weight of Pyridoxal homocysteine thiolactone enamine hydrochloride?
The molecular weight of Pyridoxal homocysteine thiolactone enamine hydrochloride is 302.05 g/mol.
Where can I buy Pyridoxal homocysteine thiolactone enamine hydrochloride?
You can request a quote for Pyridoxal homocysteine thiolactone enamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridoxal homocysteine thiolactone enamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyridoxal homocysteine thiolactone enamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.