RefChem:340417
TL;DR: RefChem:340417 (CAS 367-87-3) is a chemical compound with molecular formula C13H19BrN2O3S2 and molecular weight 394.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-[4-(2-sulfanylethylamino)butyl]-1,2-benzothiazol-3-one;hydrobromide
Also Known As: 2-Brom-6-methoxybenzoesaeure, Ethanethiol, 2-(4-(3-oxo-1,2-benzisothiazolin-2-yl)butylamino)-, S,S-dioxide, hydrobromide, 2-(4-(3-Oxo-1,2-benzisothiazolin-2-yl)butylamino)ethanethiol, S,S-dioxide, hydrogen bromide, 2-{4-[(2-sulfanylethyl)amino]butyl}-1,2-benzothiazol-3(2h)-one 1,1-dioxide hydrobromide(1:1), 1,1-dioxo-2-[4-(2-sulfanylethylamino)butyl]-1,2-benzothiazol-3-one hydrobromide
| Molecular Formula | C13H19BrN2O3S2 |
|---|---|
| Molecular Weight | 394.00 g/mol |
| LogP | 1.7086 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.00204 |
| Heavy Atoms | 21 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 367-87-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCCNCCS.Br |
| InChIKey | WZOHVOAHMABJFY-UHFFFAOYSA-N |
Product Overview
RefChem:340417 (CAS 367-87-3), with molecular formula C13H19BrN2O3S2 and molecular weight 394.00 g/mol. IUPAC: 1,1-dioxo-2-[4-(2-sulfanylethylamino)butyl]-1,2-benzothiazol-3-one;hydrobromide.
Chemical Property Profile of RefChem:340417
Property Insights of RefChem:340417
The XLogP value of 1.7086 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:340417. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:340417. Following Lipinski's Rule of Five, RefChem:340417 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 RefChem:340417?
The CAS number of RefChem:340417 is 367-87-3.
What is the molecular formula of RefChem:340417?
The molecular formula of RefChem:340417 is C13H19BrN2O3S2.
What is the molecular weight of RefChem:340417?
The molecular weight of RefChem:340417 is 394.00 g/mol.
Where can I buy RefChem:340417?
You can request a quote for RefChem:340417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:340417?
Yes, KEHONG BIO provides custom synthesis services for RefChem:340417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.