BAS 01128311
TL;DR: BAS 01128311 (CAS 332114-98-4) is a chemical compound with molecular formula C23H25BrN2O3 and molecular weight 456.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Also Known As: BAS 01128311, N-[1-(Azepane-1-carbonyl)-2-(4-bromo-phenyl)-vinyl]-2-methoxy-benzamide, (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-2-methoxybenzamide, N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide, N-{2-azaperhydroepinyl-1-[(4-bromophenyl)methylene]-2-oxoethyl}(2-methoxypheny l)carboxamide
| Molecular Formula | C23H25BrN2O3 |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 4.6312 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.10486 |
| Heavy Atoms | 29 |
| Complexity | 885.2509 |
Chemical Identifiers
| CAS Number | 332114-98-4 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)N3CCCCCC3 |
Product Overview
BAS 01128311 (CAS 332114-98-4), with molecular formula C23H25BrN2O3 and molecular weight 456.10 g/mol. IUPAC: N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide.
Chemical Property Profile of BAS 01128311
Property Insights of BAS 01128311
The XLogP value of 4.6312 indicates that BAS 01128311 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, BAS 01128311 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01128311 has 1 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 01128311?
The CAS number of BAS 01128311 is 332114-98-4.
What is the molecular formula of BAS 01128311?
The molecular formula of BAS 01128311 is C23H25BrN2O3.
What is the molecular weight of BAS 01128311?
The molecular weight of BAS 01128311 is 456.10 g/mol.
Where can I buy BAS 01128311?
You can request a quote for BAS 01128311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01128311?
Yes, KEHONG BIO provides custom synthesis services for BAS 01128311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.