Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide
TL;DR: Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide (CAS 62268-34-2) is a chemical compound with molecular formula C12H15ClN2O3S and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)amino]butan-1-ol
Also Known As: 2-Amino-4-((2-chloro-3-benzothienyl)amino)butanol S,S,-dioxide, BUTANOL, 2-AMINO-4-((2-CHLORO-3-BENZO(b)THIENYL)AMINO)-, S,S-DIOXIDE, 2-amino-4-[(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)amino]butan-1-ol, 3-[(3-Amino-4-hydroxybutyl)amino]-2-chloro-1H-1-benzothiophene-1,1-dione, 3-[(3-Amino-4-hydroxybutyl)amino]-2-chloro-1H-1lambda~6~-benzothiophene-1,1-dione
| Molecular Formula | C12H15ClN2O3S |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.0492 |
| Heavy Atoms | 19 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 62268-34-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2(=O)=O)Cl)NCCC(CO)N |
| InChIKey | FBXZTWVAXBUETH-UHFFFAOYSA-N |
Product Overview
Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide (CAS 62268-34-2), with molecular formula C12H15ClN2O3S and molecular weight 302.05 g/mol. IUPAC: 2-amino-4-[(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)amino]butan-1-ol.
Chemical Property Profile of Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide
Property Insights of Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide. Following Lipinski's Rule of Five, Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide has 3 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 Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide?
The CAS number of Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide is 62268-34-2.
What is the molecular formula of Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide?
The molecular formula of Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide is C12H15ClN2O3S.
What is the molecular weight of Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide?
The molecular weight of Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide is 302.05 g/mol.
Where can I buy Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide?
You can request a quote for Butanol, 2-amino-4-((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, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Butanol, 2-amino-4-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.