ChemDiv2_001014
TL;DR: ChemDiv2_001014 (CAS 111385-23-0) is a chemical compound with molecular formula C17H23NO3S and molecular weight 321.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)methanesulfonamide
Also Known As: ChemDiv2_001014, AB00720869-01, 1-(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-(3-methylphenyl)methanesulfonamide, 1-(7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)methanesulfonamide, 1-{7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}-N-(3-methylphenyl)methanesulfonamide
| Molecular Formula | C17H23NO3S |
|---|---|
| Molecular Weight | 321.14 g/mol |
| LogP | 3.13212 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.13986 |
| Heavy Atoms | 22 |
| Complexity | 723.1745 |
Chemical Identifiers
| CAS Number | 111385-23-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NS(=O)(=O)CC23CCC(C2(C)C)CC3=O |
Product Overview
ChemDiv2_001014 (CAS 111385-23-0), with molecular formula C17H23NO3S and molecular weight 321.14 g/mol. IUPAC: 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)methanesulfonamide.
Chemical Property Profile of ChemDiv2_001014
Property Insights of ChemDiv2_001014
The XLogP value of 3.13212 indicates that ChemDiv2_001014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001014. Following Lipinski's Rule of Five, ChemDiv2_001014 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_001014?
The CAS number of ChemDiv2_001014 is 111385-23-0.
What is the molecular formula of ChemDiv2_001014?
The molecular formula of ChemDiv2_001014 is C17H23NO3S.
What is the molecular weight of ChemDiv2_001014?
The molecular weight of ChemDiv2_001014 is 321.14 g/mol.
Where can I buy ChemDiv2_001014?
You can request a quote for ChemDiv2_001014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001014?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.