EINECS 261-163-3
TL;DR: EINECS 261-163-3 (CAS 58202-07-6) is a chemical compound with molecular formula C30H51ClN2O5S and molecular weight 586.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[2-hexadecoxy-5-(methylsulfamoyl)phenyl]-4,4-dimethyl-3-oxopentanamide
Also Known As: 2-Chloro-N-(2-(hexadecyloxy)-5-((methylamino)sulphonyl)phenyl)-4,4-dimethyl-3-oxovaleramide, 2-chloro-n-[2-(hexadecyloxy)-5-(methylsulfamoyl)phenyl]-4,4-dimethyl-3-oxopentanamide, 2-chloro-n-[2-5-[sulphonyl]phenyl]-4,4-dimethyl-3-oxovaleramide, 2-chloro-N-[2-hexadecoxy-5-(methylsulfamoyl)phenyl]-4,4-dimethyl-3-oxopentanamide, 2-chloro-N-[2- -5-[ sulphonyl]phenyl]-4,4-dimethyl-3-oxovaleramide
| Molecular Formula | C30H51ClN2O5S |
|---|---|
| Molecular Weight | 586.32 g/mol |
| LogP | 10.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 22 |
| Exact Mass | 586.32074 |
| Heavy Atoms | 39 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 58202-07-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC)NC(=O)C(C(=O)C(C)(C)C)Cl |
| InChIKey | SJAQFWWPZHJRPU-UHFFFAOYSA-N |
Product Overview
EINECS 261-163-3 (CAS 58202-07-6), with molecular formula C30H51ClN2O5S and molecular weight 586.32 g/mol. IUPAC: 2-chloro-N-[2-hexadecoxy-5-(methylsulfamoyl)phenyl]-4,4-dimethyl-3-oxopentanamide.
Chemical Property Profile of EINECS 261-163-3
Property Insights of EINECS 261-163-3
The XLogP value of 10.3 indicates that EINECS 261-163-3 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 EINECS 261-163-3. Following Lipinski's Rule of Five, EINECS 261-163-3 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 EINECS 261-163-3?
The CAS number of EINECS 261-163-3 is 58202-07-6.
What is the molecular formula of EINECS 261-163-3?
The molecular formula of EINECS 261-163-3 is C30H51ClN2O5S.
What is the molecular weight of EINECS 261-163-3?
The molecular weight of EINECS 261-163-3 is 586.32 g/mol.
Where can I buy EINECS 261-163-3?
You can request a quote for EINECS 261-163-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 261-163-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 261-163-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.