RefChem:327370
TL;DR: RefChem:327370 (CAS 60247-55-4) is a chemical compound with molecular formula C45H61ClN2O7 and molecular weight 776.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[2-chloro-5-[2-(3-pentadecylphenoxy)butanoylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
Also Known As: Benzoic acid, 4-[1-[[[2-chloro-5-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-, 4-(1-(((2-Chloro-5-((1-oxo-2-(3-pentadecylphenoxy)butyl)amino)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)benzoic acid, Benzoic acid, 4-(1-(((2-chloro-5-((1-oxo-2-(3-pentadecylphenoxy)butyl)amino)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)-, 4-[1-[[[2-Chloro-5-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid, 4-[1-[2-chloro-5-[2-(3-pentadecylphenoxy)butanoylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
| Molecular Formula | C45H61ClN2O7 |
|---|---|
| Molecular Weight | 776.42 g/mol |
| LogP | 11.4693 |
| Topological Polar Surface Area | 131.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 25 |
| Exact Mass | 776.41675 |
| Heavy Atoms | 55 |
| Complexity | 1668.3673 |
Chemical Identifiers
| CAS Number | 60247-55-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)OC3=CC=C(C=C3)C(=O)O |
Product Overview
RefChem:327370 (CAS 60247-55-4), with molecular formula C45H61ClN2O7 and molecular weight 776.42 g/mol. IUPAC: 4-[1-[2-chloro-5-[2-(3-pentadecylphenoxy)butanoylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid.
Chemical Property Profile of RefChem:327370
Property Insights of RefChem:327370
The XLogP value of 11.4693 indicates that RefChem:327370 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.03 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327370. Following Lipinski's Rule of Five, RefChem:327370 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:327370?
The CAS number of RefChem:327370 is 60247-55-4.
What is the molecular formula of RefChem:327370?
The molecular formula of RefChem:327370 is C45H61ClN2O7.
What is the molecular weight of RefChem:327370?
The molecular weight of RefChem:327370 is 776.42 g/mol.
Where can I buy RefChem:327370?
You can request a quote for RefChem:327370 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327370?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327370 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.