BAS 01293813
TL;DR: BAS 01293813 (CAS 5956-51-4) is a chemical compound with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-chlorophenyl)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]prop-2-ene-1-sulfonate
Also Known As: BAS 01293813, (Z)-3-(4-chlorophenyl)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]prop-2-ene-1-sulfonate, 3-(4-chlorophenyl)-2-[1-(2-hydroxyethyl)-4-pyridiniumyl]-2-propene-1-sulfonate, (2Z)-3-(4-Chlorophenyl)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]prop-2-ene-1-sulfonate
| Molecular Formula | C16H16ClNO4S |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 1.7056 |
| Topological Polar Surface Area | 81.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.04886 |
| Heavy Atoms | 23 |
| Complexity | 783.8349 |
Chemical Identifiers
| CAS Number | 5956-51-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\CS(=O)(=O)[O-])/C2=CC=[N+](C=C2)CCO)Cl |
Product Overview
BAS 01293813 (CAS 5956-51-4), with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol. IUPAC: (Z)-3-(4-chlorophenyl)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]prop-2-ene-1-sulfonate.
Chemical Property Profile of BAS 01293813
Property Insights of BAS 01293813
The XLogP value of 1.7056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01293813. The TPSA of 81.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01293813. Following Lipinski's Rule of Five, BAS 01293813 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 BAS 01293813?
The CAS number of BAS 01293813 is 5956-51-4.
What is the molecular formula of BAS 01293813?
The molecular formula of BAS 01293813 is C16H16ClNO4S.
What is the molecular weight of BAS 01293813?
The molecular weight of BAS 01293813 is 353.05 g/mol.
Where can I buy BAS 01293813?
You can request a quote for BAS 01293813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01293813?
Yes, KEHONG BIO provides custom synthesis services for BAS 01293813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.