ChemDiv1_022468
TL;DR: ChemDiv1_022468 (CAS 352687-57-1) is a chemical compound with molecular formula C19H19ClN2O2S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
Also Known As: ChemDiv1_022468, 2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide, 2-(4-chloro-2-methylphenoxy)-N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}acetamide, 2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)acetamide
| Molecular Formula | C19H19ClN2O2S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 4.868 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.08557 |
| Heavy Atoms | 25 |
| Complexity | 838.6801 |
Chemical Identifiers
| CAS Number | 352687-57-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N |
Product Overview
ChemDiv1_022468 (CAS 352687-57-1), with molecular formula C19H19ClN2O2S and molecular weight 374.09 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide.
Chemical Property Profile of ChemDiv1_022468
Property Insights of ChemDiv1_022468
The XLogP value of 4.868 indicates that ChemDiv1_022468 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022468. Following Lipinski's Rule of Five, ChemDiv1_022468 has 1 hydrogen bond donor(s) and 4 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 ChemDiv1_022468?
The CAS number of ChemDiv1_022468 is 352687-57-1.
What is the molecular formula of ChemDiv1_022468?
The molecular formula of ChemDiv1_022468 is C19H19ClN2O2S.
What is the molecular weight of ChemDiv1_022468?
The molecular weight of ChemDiv1_022468 is 374.09 g/mol.
Where can I buy ChemDiv1_022468?
You can request a quote for ChemDiv1_022468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022468?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.