BAS 00363353
TL;DR: BAS 00363353 (CAS 331256-74-7) is a chemical compound with molecular formula C22H23BrN2O4 and molecular weight 458.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]hexanoic acid
Also Known As: BAS 00363353, (E)-6-(2-benzamido-3-(4-bromophenyl)acrylamido)hexanoic acid, 6-[2-Benzoylamino-3-(4-bromo-phenyl)-acryloylamino]-hexanoic acid, 6-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]hexanoic acid, 6-({(2E)-3-(4-bromophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)hexanoic acid
| Molecular Formula | C22H23BrN2O4 |
|---|---|
| Molecular Weight | 458.08 g/mol |
| LogP | 3.9812 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 458.0841 |
| Heavy Atoms | 29 |
| Complexity | 864.1408 |
Chemical Identifiers
| CAS Number | 331256-74-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)NCCCCCC(=O)O |
Product Overview
BAS 00363353 (CAS 331256-74-7), with molecular formula C22H23BrN2O4 and molecular weight 458.08 g/mol. IUPAC: 6-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]hexanoic acid.
Chemical Property Profile of BAS 00363353
Property Insights of BAS 00363353
The XLogP value of 3.9812 indicates that BAS 00363353 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00363353. Following Lipinski's Rule of Five, BAS 00363353 has 3 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 BAS 00363353?
The CAS number of BAS 00363353 is 331256-74-7.
What is the molecular formula of BAS 00363353?
The molecular formula of BAS 00363353 is C22H23BrN2O4.
What is the molecular weight of BAS 00363353?
The molecular weight of BAS 00363353 is 458.08 g/mol.
Where can I buy BAS 00363353?
You can request a quote for BAS 00363353 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00363353?
Yes, KEHONG BIO provides custom synthesis services for BAS 00363353 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.