Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide
TL;DR: Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide (CAS 62268-32-0) is a chemical compound with molecular formula C12H14ClNO3S and molecular weight 287.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)amino]butan-1-ol
Also Known As: 3-((2-Chloro-3-benzothienyl)amino)butanol S,S,-dioxide, BUTANOL, 3-((2-CHLORO-3-BENZO(b)THIENYL)AMINO)-, S,S-DIOXIDE, 3-[(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)amino]butan-1-ol, 2-Chloro-3-[(4-hydroxybutan-2-yl)amino]-1H-1-benzothiophene-1,1-dione, 2-Chloro-3-[(4-hydroxybutan-2-yl)amino]-1H-1lambda~6~-benzothiophene-1,1-dione
| Molecular Formula | C12H14ClNO3S |
|---|---|
| Molecular Weight | 287.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.0383 |
| Heavy Atoms | 18 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 62268-32-0 |
|---|---|
| SMILES | CC(CCO)NC1=C(S(=O)(=O)C2=CC=CC=C21)Cl |
| InChIKey | KIWONXWDFBXMMV-UHFFFAOYSA-N |
Product Overview
Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide (CAS 62268-32-0), with molecular formula C12H14ClNO3S and molecular weight 287.04 g/mol. IUPAC: 3-[(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)amino]butan-1-ol.
Chemical Property Profile of Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide
Property Insights of Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide. Following Lipinski's Rule of Five, Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-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 Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide?
The CAS number of Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide is 62268-32-0.
What is the molecular formula of Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide?
The molecular formula of Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide is C12H14ClNO3S.
What is the molecular weight of Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide?
The molecular weight of Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide is 287.04 g/mol.
Where can I buy Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide?
You can request a quote for Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Butanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.