RefChem:859874
TL;DR: RefChem:859874 (CAS 63133-80-2) is a chemical compound with molecular formula C38H57ClN2O4 and molecular weight 640.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide
Also Known As: N-[2-Chloro-5-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]phenyl]-4,4-dimethyl-3-oxovaleramide, Pentanamide, N-[2-chloro-5-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]phenyl]-4,4-dimethyl-3-oxo-, Pentanamide, N-(2-chloro-5-((1-oxo-2-(3-pentadecylphenoxy)butyl)amino)phenyl)-4,4-dimethyl-3-oxo-, n-(2-chloro-5-{[2-(3-pentadecylphenoxy)butanoyl]amino}phenyl)-4,4-dimethyl-3-oxopentanamide, N-{2-CHLORO-5-[2-(3-PENTADECYLPHENOXY)BUTANAMIDO]PHENYL}-4,4-DIMETHYL-3-OXOPENTANAMIDE
| Molecular Formula | C38H57ClN2O4 |
|---|---|
| Molecular Weight | 640.40 g/mol |
| LogP | 13.2 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 23 |
| Exact Mass | 640.4007 |
| Heavy Atoms | 45 |
| Complexity | 844.0 |
Chemical Identifiers
| CAS Number | 63133-80-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)CC(=O)C(C)(C)C |
| InChIKey | YMUPHCBQBARKGF-UHFFFAOYSA-N |
Product Overview
RefChem:859874 (CAS 63133-80-2), with molecular formula C38H57ClN2O4 and molecular weight 640.40 g/mol. IUPAC: N-[2-chloro-5-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide.
Chemical Property Profile of RefChem:859874
Property Insights of RefChem:859874
The XLogP value of 13.2 indicates that RefChem:859874 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:859874. Following Lipinski's Rule of Five, RefChem:859874 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 RefChem:859874?
The CAS number of RefChem:859874 is 63133-80-2.
What is the molecular formula of RefChem:859874?
The molecular formula of RefChem:859874 is C38H57ClN2O4.
What is the molecular weight of RefChem:859874?
The molecular weight of RefChem:859874 is 640.40 g/mol.
Where can I buy RefChem:859874?
You can request a quote for RefChem:859874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:859874?
Yes, KEHONG BIO provides custom synthesis services for RefChem:859874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.