RefChem:563577
TL;DR: RefChem:563577 (CAS 68516-70-1) is a chemical compound with molecular formula C39H53ClN2O5S and molecular weight 696.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(phenylsulfamoyl)phenyl]-3-(2-octadecoxyphenyl)-3-oxopropanamide
Also Known As: Benzenepropanamide, N-(2-chloro-5-((phenylamino)sulfonyl)phenyl)-2-(octadecyloxy)-beta-oxo-, Benzenepropanamide, N-[2-chloro-5-[(phenylamino)sulfonyl]phenyl]-2-(octadecyloxy)-.beta.-oxo-, n-[2-chloro-5-(phenylsulfamoyl)phenyl]-3-[2-(octadecyloxy)phenyl]-3-oxopropanamide, n-[5-2-chlorophenyl]-3-[o- phenyl]-3-oxopropionamide, N-(2-Chloro-5-(phenylaminosulfonyl)phenyl)-3-((2-octadecyloxy)phenyl)-3-oxopropanamide
| Molecular Formula | C39H53ClN2O5S |
|---|---|
| Molecular Weight | 696.34 g/mol |
| LogP | 13.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 25 |
| Exact Mass | 696.33636 |
| Heavy Atoms | 48 |
| Complexity | 983.0 |
Chemical Identifiers
| CAS Number | 68516-70-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3)Cl |
| InChIKey | DFKPOYWYIKFZJL-UHFFFAOYSA-N |
Product Overview
RefChem:563577 (CAS 68516-70-1), with molecular formula C39H53ClN2O5S and molecular weight 696.34 g/mol. IUPAC: N-[2-chloro-5-(phenylsulfamoyl)phenyl]-3-(2-octadecoxyphenyl)-3-oxopropanamide.
Chemical Property Profile of RefChem:563577
Property Insights of RefChem:563577
The XLogP value of 13.1 indicates that RefChem:563577 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:563577. Following Lipinski's Rule of Five, RefChem:563577 has 2 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:563577?
The CAS number of RefChem:563577 is 68516-70-1.
What is the molecular formula of RefChem:563577?
The molecular formula of RefChem:563577 is C39H53ClN2O5S.
What is the molecular weight of RefChem:563577?
The molecular weight of RefChem:563577 is 696.34 g/mol.
Where can I buy RefChem:563577?
You can request a quote for RefChem:563577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563577?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.