RefChem:1093983
TL;DR: RefChem:1093983 (CAS 57227-95-9) is a chemical compound with molecular formula C30H42ClN3O7 and molecular weight 591.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;oxalic acid
Also Known As: CR 831, CR 716, Hydrocinnamamide, alpha-((p-chlorobenzoyl)amino)-4-(2-(diethylamino)ethoxy)-N,N-dipropyl-, oxalate, (S)-, O-(2-Diethylaminoethyl)-N-(p-chlorobenzoyl)-DL-tyrosyl-di-n-propylamide oxalate, O-(2-Diethylaminoethyl)-N-(p-chlorobenzoyl)-L-tyrosyl-di-n-propylamide oxalate
| Molecular Formula | C30H42ClN3O7 |
|---|---|
| Molecular Weight | 591.27 g/mol |
| LogP | 4.21 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 591.2711 |
| Heavy Atoms | 41 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 57227-95-9 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O |
| InChIKey | HVXDWKZVAGFCDX-UHFFFAOYSA-N |
Product Overview
RefChem:1093983 (CAS 57227-95-9), with molecular formula C30H42ClN3O7 and molecular weight 591.27 g/mol. IUPAC: 4-chloro-N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;oxalic acid.
Chemical Property Profile of RefChem:1093983
Property Insights of RefChem:1093983
The XLogP value of 4.21 indicates that RefChem:1093983 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1093983. Following Lipinski's Rule of Five, RefChem:1093983 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1093983?
The CAS number of RefChem:1093983 is 57227-95-9.
What is the molecular formula of RefChem:1093983?
The molecular formula of RefChem:1093983 is C30H42ClN3O7.
What is the molecular weight of RefChem:1093983?
The molecular weight of RefChem:1093983 is 591.27 g/mol.
Where can I buy RefChem:1093983?
You can request a quote for RefChem:1093983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1093983?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1093983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.