![N-[(5-bromothien-2-yl)sulfonyl]valine structure](/static/products/813/813530-45-9.png)
N-[(5-bromothien-2-yl)sulfonyl]valine
TL;DR: N-[(5-bromothien-2-yl)sulfonyl]valine (CAS 813530-45-9) is a chemical compound with molecular formula C9H12BrNO4S2 and molecular weight 340.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-bromothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
Also Known As: N-[(5-bromothien-2-yl)sulfonyl]valine, 2-(5-bromothiophene-2-sulfonamido)-3-methylbutanoic acid, 2-[(5-bromothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
| Molecular Formula | C9H12BrNO4S2 |
|---|---|
| Molecular Weight | 340.94 g/mol |
| LogP | 1.8981 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.93912 |
| Heavy Atoms | 17 |
| Complexity | 508.82047 |
Chemical Identifiers
| CAS Number | 813530-45-9 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(S1)Br |
Product Overview
N-[(5-bromothien-2-yl)sulfonyl]valine (CAS 813530-45-9), with molecular formula C9H12BrNO4S2 and molecular weight 340.94 g/mol. IUPAC: 2-[(5-bromothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid.
Chemical Property Profile of N-[(5-bromothien-2-yl)sulfonyl]valine
Property Insights of N-[(5-bromothien-2-yl)sulfonyl]valine
The XLogP value of 1.8981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(5-bromothien-2-yl)sulfonyl]valine. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-bromothien-2-yl)sulfonyl]valine. Following Lipinski's Rule of Five, N-[(5-bromothien-2-yl)sulfonyl]valine 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 N-[(5-bromothien-2-yl)sulfonyl]valine?
The CAS number of N-[(5-bromothien-2-yl)sulfonyl]valine is 813530-45-9.
What is the molecular formula of N-[(5-bromothien-2-yl)sulfonyl]valine?
The molecular formula of N-[(5-bromothien-2-yl)sulfonyl]valine is C9H12BrNO4S2.
What is the molecular weight of N-[(5-bromothien-2-yl)sulfonyl]valine?
The molecular weight of N-[(5-bromothien-2-yl)sulfonyl]valine is 340.94 g/mol.
Where can I buy N-[(5-bromothien-2-yl)sulfonyl]valine?
You can request a quote for N-[(5-bromothien-2-yl)sulfonyl]valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-bromothien-2-yl)sulfonyl]valine?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-bromothien-2-yl)sulfonyl]valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.