RefChem:565870
TL;DR: RefChem:565870 (CAS 56912-33-5) is a chemical compound with molecular formula C40H51ClN2O7 and molecular weight 706.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[2-chloro-5-[4-(2,4-dipentylphenoxy)butanoylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
Also Known As: Benzoic acid, 4-[1-[[[2-chloro-5-[[4-(2,4-dipentylphenoxy)-1-oxobutyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-, Benzoic acid, 4-(1-(((2-chloro-5-((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxybutyl)amino)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)-, Benzoic acid, 4-(1-(((2-chloro-5-((4-(2,4-dipentylphenoxy)-1-oxobutyl)amino)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)-, Benzoic acid, 4-(1-(((2-chloro-5-((4-(2,4-dipentylphenoxy)-1-oxobutyl)amino)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxyl)-, 4-({1-[(2-chloro-5-{[4-(2,4-dipentylphenoxy)butanoyl]amino}phenyl)amino]-4,4-dimethyl-1,3-dioxopentan-2-yl}oxy)benzoic acid
| Molecular Formula | C40H51ClN2O7 |
|---|---|
| Molecular Weight | 706.34 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 21 |
| Exact Mass | 706.3385 |
| Heavy Atoms | 50 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 56912-33-5 |
|---|---|
| SMILES | CCCCCC1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)OC3=CC=C(C=C3)C(=O)O)CCCCC |
| InChIKey | DVHHNFRIVCLAGN-UHFFFAOYSA-N |
Product Overview
RefChem:565870 (CAS 56912-33-5), with molecular formula C40H51ClN2O7 and molecular weight 706.34 g/mol. IUPAC: 4-[1-[2-chloro-5-[4-(2,4-dipentylphenoxy)butanoylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid.
Chemical Property Profile of RefChem:565870
Property Insights of RefChem:565870
The XLogP value of 10.8 indicates that RefChem:565870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:565870. Following Lipinski's Rule of Five, RefChem:565870 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:565870?
The CAS number of RefChem:565870 is 56912-33-5.
What is the molecular formula of RefChem:565870?
The molecular formula of RefChem:565870 is C40H51ClN2O7.
What is the molecular weight of RefChem:565870?
The molecular weight of RefChem:565870 is 706.34 g/mol.
Where can I buy RefChem:565870?
You can request a quote for RefChem:565870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565870?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.