SR 26831
TL;DR: SR 26831 (CAS 139995-67-8) is a chemical compound with molecular formula C19H23ClNO3S+ and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(2-chlorophenyl)methyl]-5-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] 2,2-dimethylpropanoate
Also Known As: Thieno(3,2-c)pyridinium, 5-((2-chlorophenyl)methyl)-2-(2,2-dimethyl-1-oxopropoxy)-4,5,6,7-tetrahydro-5-hydroxy-, ((5-(2-Chlorobenzyl-2-tert-butyloxycarbonyl))-4,5,6,7-tetrahydrothieno(3,2-c)pyridine)-N-oxide, [5-[(2-chlorophenyl)methyl]-5-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] 2,2-dimethylpropanoate, 5-[(2-Chlorophenyl)methyl]-2-[(2,2-dimethylpropanoyl)oxy]-5-hydroxy-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium, RefChem:185180
| Molecular Formula | C19H23ClNO3S+ |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.1087 |
| Heavy Atoms | 25 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 139995-67-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC2=C(S1)CC[N+](C2)(CC3=CC=CC=C3Cl)O |
| InChIKey | AZEZNHVYMHQRRH-UHFFFAOYSA-N |
Product Overview
SR 26831 (CAS 139995-67-8), with molecular formula C19H23ClNO3S+ and molecular weight 380.11 g/mol. IUPAC: [5-[(2-chlorophenyl)methyl]-5-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of SR 26831
Property Insights of SR 26831
The XLogP value of 4.6 indicates that SR 26831 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for SR 26831. Following Lipinski's Rule of Five, SR 26831 has 1 hydrogen bond donor(s) and 4 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 SR 26831?
The CAS number of SR 26831 is 139995-67-8.
What is the molecular formula of SR 26831?
The molecular formula of SR 26831 is C19H23ClNO3S+.
What is the molecular weight of SR 26831?
The molecular weight of SR 26831 is 380.11 g/mol.
Where can I buy SR 26831?
You can request a quote for SR 26831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SR 26831?
Yes, KEHONG BIO provides custom synthesis services for SR 26831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.