BAS 12931139
TL;DR: BAS 12931139 (CAS 878731-52-3) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: BAS 12931139, 2-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,2-benzothiazol-3(2H)-one 1,1-dioxide, 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one, 2-(2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-oxoethyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 1.79674 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 1088.8551 |
Chemical Identifiers
| CAS Number | 878731-52-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O)C |
Product Overview
BAS 12931139 (CAS 878731-52-3), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of BAS 12931139
Property Insights of BAS 12931139
The XLogP value of 1.79674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12931139. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12931139. Following Lipinski's Rule of Five, BAS 12931139 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 12931139?
The CAS number of BAS 12931139 is 878731-52-3.
What is the molecular formula of BAS 12931139?
The molecular formula of BAS 12931139 is C21H23N3O4S.
What is the molecular weight of BAS 12931139?
The molecular weight of BAS 12931139 is 413.14 g/mol.
Where can I buy BAS 12931139?
You can request a quote for BAS 12931139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12931139?
Yes, KEHONG BIO provides custom synthesis services for BAS 12931139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.