ChemDiv1_021418
TL;DR: ChemDiv1_021418 (CAS 312596-32-0) is a chemical compound with molecular formula C18H16Cl2N2O2S and molecular weight 394.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide
Also Known As: ChemDiv1_021418, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide, F0466-0119, N-{3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}-2-(2,4-DICHLOROPHENOXY)ACETAMIDE
| Molecular Formula | C18H16Cl2N2O2S |
|---|---|
| Molecular Weight | 394.03 g/mol |
| LogP | 5.21298 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.03094 |
| Heavy Atoms | 25 |
| Complexity | 842.3321 |
Chemical Identifiers
| CAS Number | 312596-32-0 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)COC3=C(C=C(C=C3)Cl)Cl |
Product Overview
ChemDiv1_021418 (CAS 312596-32-0), with molecular formula C18H16Cl2N2O2S and molecular weight 394.03 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide.
Chemical Property Profile of ChemDiv1_021418
Property Insights of ChemDiv1_021418
The XLogP value of 5.21298 indicates that ChemDiv1_021418 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_021418. Following Lipinski's Rule of Five, ChemDiv1_021418 has 1 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 ChemDiv1_021418?
The CAS number of ChemDiv1_021418 is 312596-32-0.
What is the molecular formula of ChemDiv1_021418?
The molecular formula of ChemDiv1_021418 is C18H16Cl2N2O2S.
What is the molecular weight of ChemDiv1_021418?
The molecular weight of ChemDiv1_021418 is 394.03 g/mol.
Where can I buy ChemDiv1_021418?
You can request a quote for ChemDiv1_021418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021418?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.