BAS 01128310
TL;DR: BAS 01128310 (CAS 332114-97-3) is a chemical compound with molecular formula C26H31BrN2O2 and molecular weight 482.16 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]-4-tert-butylbenzamide
Also Known As: BAS 01128310, (E)-N-(3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl)-4-(tert-butyl)benzamide, N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide, N-[1-(Azepane-1-carbonyl)-2-(4-bromo-phenyl)-vinyl]-4-tert-butyl-benzamide
| Molecular Formula | C26H31BrN2O2 |
|---|---|
| Molecular Weight | 482.16 g/mol |
| LogP | 5.9201 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 482.1569 |
| Heavy Atoms | 31 |
| Complexity | 932.86743 |
Chemical Identifiers
| CAS Number | 332114-97-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)N3CCCCCC3 |
Product Overview
BAS 01128310 (CAS 332114-97-3), with molecular formula C26H31BrN2O2 and molecular weight 482.16 g/mol. IUPAC: N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide.
Chemical Property Profile of BAS 01128310
Property Insights of BAS 01128310
The XLogP value of 5.9201 indicates that BAS 01128310 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, BAS 01128310 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01128310 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01128310?
The CAS number of BAS 01128310 is 332114-97-3.
What is the molecular formula of BAS 01128310?
The molecular formula of BAS 01128310 is C26H31BrN2O2.
What is the molecular weight of BAS 01128310?
The molecular weight of BAS 01128310 is 482.16 g/mol.
Where can I buy BAS 01128310?
You can request a quote for BAS 01128310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01128310?
Yes, KEHONG BIO provides custom synthesis services for BAS 01128310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.