Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide
TL;DR: Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide (CAS 62268-38-6) is a chemical compound with molecular formula C10H8ClNO2S and molecular weight 241.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aziridin-1-yl)-2-chloro-1-benzothiophene 1,1-dioxide
Also Known As: 2-Chloro-3-(1-aziridinyl)benzo(b)thiophene 1,1-dioxide, BENZO(b)THIOPHENE, 3-(1-AZIRIDINYL)-2-CHLORO-, 1,1-DIOXIDE, 3-(aziridin-1-yl)-2-chloro-1-benzothiophene 1,1-dioxide, 3-(Aziridin-1-yl)-2-chloro-1H-1lambda~6~-benzothiophene-1,1-dione, RefChem:326192
| Molecular Formula | C10H8ClNO2S |
|---|---|
| Molecular Weight | 241.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.99643 |
| Heavy Atoms | 15 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 62268-38-6 |
|---|---|
| SMILES | C1CN1C2=C(S(=O)(=O)C3=CC=CC=C32)Cl |
| InChIKey | RJJAQIDLFUFLST-UHFFFAOYSA-N |
Product Overview
Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide (CAS 62268-38-6), with molecular formula C10H8ClNO2S and molecular weight 241.00 g/mol. IUPAC: 3-(aziridin-1-yl)-2-chloro-1-benzothiophene 1,1-dioxide.
Chemical Property Profile of Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide
Property Insights of Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide. With a topological polar surface area (TPSA) of 45.5 Ų, Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide has 0 hydrogen bond donor(s) and 3 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-(1-aziridinyl)-2-chloro-, 1,1-dioxide?
The CAS number of Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide is 62268-38-6.
What is the molecular formula of Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide?
The molecular formula of Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide is C10H8ClNO2S.
What is the molecular weight of Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide?
The molecular weight of Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide is 241.00 g/mol.
Where can I buy Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide?
You can request a quote for Benzo(b)thiophene, 3-(1-aziridinyl)-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-(1-aziridinyl)-2-chloro-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.