BAS 00263086
TL;DR: BAS 00263086 (CAS 108286-35-7) is a chemical compound with molecular formula C14H16ClNO3S3 and molecular weight 377.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-chloro-2-[(E)-2-methylsulfanylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: BAS 00263086, 3-[5-chloro-2-[(E)-2-methylsulfanylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate, 3-[2-((1E)-2-methylthioprop-1-enyl)-5-chlorobenzothiazol-3-yl]propanesulfonic acid, 3-{5-chloro-2-[(1E)-2-(methylsulfanyl)prop-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate, 5-CHLORO-2-[(1E)-2-(METHYLSULFANYL)PROP-1-EN-1-YL]-3-(3-SULFONATOPROPYL)-1,3-BENZOTHIAZOL-3-IUM
| Molecular Formula | C14H16ClNO3S3 |
|---|---|
| Molecular Weight | 377.00 g/mol |
| LogP | 3.5013 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.99808 |
| Heavy Atoms | 22 |
| Complexity | 812.0925 |
Chemical Identifiers
| CAS Number | 108286-35-7 |
|---|---|
| SMILES | C/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-])/SC |
Product Overview
BAS 00263086 (CAS 108286-35-7), with molecular formula C14H16ClNO3S3 and molecular weight 377.00 g/mol. IUPAC: 3-[5-chloro-2-[(E)-2-methylsulfanylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate.
Chemical Property Profile of BAS 00263086
Property Insights of BAS 00263086
The XLogP value of 3.5013 indicates that BAS 00263086 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00263086. Following Lipinski's Rule of Five, BAS 00263086 has 0 hydrogen bond donor(s) and 5 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 00263086?
The CAS number of BAS 00263086 is 108286-35-7.
What is the molecular formula of BAS 00263086?
The molecular formula of BAS 00263086 is C14H16ClNO3S3.
What is the molecular weight of BAS 00263086?
The molecular weight of BAS 00263086 is 377.00 g/mol.
Where can I buy BAS 00263086?
You can request a quote for BAS 00263086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00263086?
Yes, KEHONG BIO provides custom synthesis services for BAS 00263086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.