Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide
TL;DR: Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide (CAS 39775-21-8) is a chemical compound with molecular formula C10H11ClN2O2S and molecular weight 258.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethane-1,2-diamine
Also Known As: BENZO(b)THIOPHENE, 3-(2-AMINOETHYLAMINO)-2-CHLORO-, 1,1,-DIOXIDE, 3-(2-Aminoethylamino)-2-chlorobenzo(b)thiophine 1,1-dioxide, N'-(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethane-1,2-diamine, N-(2-CHLORO-1,1-DIOXO-BENZOTHIOPHEN-3-YL)ETHANE-1,2-DIAMINE, 3-[(2-Aminoethyl)amino]-2-chloro-1H-1lambda~6~-benzothiophene-1,1-dione
| Molecular Formula | C10H11ClN2O2S |
|---|---|
| Molecular Weight | 258.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.02298 |
| Heavy Atoms | 16 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 39775-21-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2(=O)=O)Cl)NCCN |
| InChIKey | OSUYVHRYRXDZMO-UHFFFAOYSA-N |
Product Overview
Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide (CAS 39775-21-8), with molecular formula C10H11ClN2O2S and molecular weight 258.02 g/mol. IUPAC: N'-(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethane-1,2-diamine.
Chemical Property Profile of Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide
Property Insights of Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide. Following Lipinski's Rule of Five, Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide has 2 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 Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide?
The CAS number of Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide is 39775-21-8.
What is the molecular formula of Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide?
The molecular formula of Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide is C10H11ClN2O2S.
What is the molecular weight of Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide?
The molecular weight of Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide is 258.02 g/mol.
Where can I buy Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide?
You can request a quote for Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.