A1841/0077456
TL;DR: A1841/0077456 (CAS 312498-50-3) is a chemical compound with molecular formula C22H24BrClN4O3 and molecular weight 506.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-(4-bromobenzoyl)piperazin-1-yl]ethyl]-N'-(3-chloro-4-methylphenyl)oxamide
Also Known As: A1841/0077456, N-[2-[4-(4-bromobenzoyl)piperazin-1-yl]ethyl]-N'-(3-chloro-4-methylphenyl)oxamide, N-(2-{4-[(4-bromophenyl)carbonyl]piperazin-1-yl}ethyl)-N'-(3-chloro-4-methylphenyl)ethanediamide, N-{2-[4-(4-BROMOBENZOYL)PIPERAZIN-1-YL]ETHYL}-N'-(3-CHLORO-4-METHYLPHENYL)ETHANEDIAMIDE, N~1~-{2-[4-(4-bromobenzoyl)-1-piperazinyl]ethyl}-N~2~-(3-chloro-4-methylphenyl)ethanediamide
| Molecular Formula | C22H24BrClN4O3 |
|---|---|
| Molecular Weight | 506.07 g/mol |
| LogP | 2.92362 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.07202 |
| Heavy Atoms | 31 |
| Complexity | 959.7284 |
Chemical Identifiers
| CAS Number | 312498-50-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)Cl |
Product Overview
A1841/0077456 (CAS 312498-50-3), with molecular formula C22H24BrClN4O3 and molecular weight 506.07 g/mol. IUPAC: N-[2-[4-(4-bromobenzoyl)piperazin-1-yl]ethyl]-N'-(3-chloro-4-methylphenyl)oxamide.
Chemical Property Profile of A1841/0077456
Property Insights of A1841/0077456
The XLogP value of 2.92362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1841/0077456. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for A1841/0077456. Following Lipinski's Rule of Five, A1841/0077456 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1841/0077456?
The CAS number of A1841/0077456 is 312498-50-3.
What is the molecular formula of A1841/0077456?
The molecular formula of A1841/0077456 is C22H24BrClN4O3.
What is the molecular weight of A1841/0077456?
The molecular weight of A1841/0077456 is 506.07 g/mol.
Where can I buy A1841/0077456?
You can request a quote for A1841/0077456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1841/0077456?
Yes, KEHONG BIO provides custom synthesis services for A1841/0077456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.