BAS 13689610
TL;DR: BAS 13689610 (CAS 878440-66-5) is a chemical compound with molecular formula C16H14N4O3S and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1,3-dimethylbenzimidazol-2-one
Also Known As: BAS 13689610, 5-((1,1-dioxidobenzo[d]isothiazol-3-yl)amino)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one, 5-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1,3-dimethylbenzimidazol-2-one, 5-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one, 5-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
| Molecular Formula | C16H14N4O3S |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | 1.438 |
| Topological Polar Surface Area | 85.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.07867 |
| Heavy Atoms | 24 |
| Complexity | 1185.7432 |
Chemical Identifiers
| CAS Number | 878440-66-5 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43)N(C1=O)C |
Product Overview
BAS 13689610 (CAS 878440-66-5), with molecular formula C16H14N4O3S and molecular weight 342.08 g/mol. IUPAC: 5-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1,3-dimethylbenzimidazol-2-one.
Chemical Property Profile of BAS 13689610
Property Insights of BAS 13689610
The XLogP value of 1.438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13689610. The TPSA of 85.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13689610. Following Lipinski's Rule of Five, BAS 13689610 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 13689610?
The CAS number of BAS 13689610 is 878440-66-5.
What is the molecular formula of BAS 13689610?
The molecular formula of BAS 13689610 is C16H14N4O3S.
What is the molecular weight of BAS 13689610?
The molecular weight of BAS 13689610 is 342.08 g/mol.
Where can I buy BAS 13689610?
You can request a quote for BAS 13689610 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13689610?
Yes, KEHONG BIO provides custom synthesis services for BAS 13689610 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.