RefChem:348298
TL;DR: RefChem:348298 (CAS 57228-07-6) is a chemical compound with molecular formula C28H39ClN4O3 and molecular weight 514.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(butylamino)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-oxopropan-2-yl]-4-chlorobenzamide
Also Known As: Hydrocinnamamide, N-butyl-alpha-((p-chlorobenzoyl)amino)-4-(3-(4-methyl-1-piperazinyl)propoxy)-, (+-)-, O-(3-(N''-Methylpiperazine)-N'-propyl)-N-(p-chlorobenzoyl)-DL-tyrosyl-n-butylamide, N-[1-(butylamino)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-oxopropan-2-yl]-4-chlorobenzamide, N-Butyl-2-(4-chlorobenzamido)-3-{4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}propanimidic acid, BRN 0867825
| Molecular Formula | C28H39ClN4O3 |
|---|---|
| Molecular Weight | 514.27 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 514.27106 |
| Heavy Atoms | 36 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 57228-07-6 |
|---|---|
| SMILES | CCCCNC(=O)C(CC1=CC=C(C=C1)OCCCN2CCN(CC2)C)NC(=O)C3=CC=C(C=C3)Cl |
| InChIKey | XOXCNBFVXCRYGV-UHFFFAOYSA-N |
Product Overview
RefChem:348298 (CAS 57228-07-6), with molecular formula C28H39ClN4O3 and molecular weight 514.27 g/mol. IUPAC: N-[1-(butylamino)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-oxopropan-2-yl]-4-chlorobenzamide.
Chemical Property Profile of RefChem:348298
Property Insights of RefChem:348298
The XLogP value of 4.6 indicates that RefChem:348298 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:348298. Following Lipinski's Rule of Five, RefChem:348298 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:348298?
The CAS number of RefChem:348298 is 57228-07-6.
What is the molecular formula of RefChem:348298?
The molecular formula of RefChem:348298 is C28H39ClN4O3.
What is the molecular weight of RefChem:348298?
The molecular weight of RefChem:348298 is 514.27 g/mol.
Where can I buy RefChem:348298?
You can request a quote for RefChem:348298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:348298?
Yes, KEHONG BIO provides custom synthesis services for RefChem:348298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.