ChemDiv1_002492
TL;DR: ChemDiv1_002492 (CAS 313481-45-7) is a chemical compound with molecular formula C18H15N3O2S2 and molecular weight 369.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Also Known As: ChemDiv1_002492, 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide, 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide, 2-(benzo[d]oxazol-2-ylthio)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide
| Molecular Formula | C18H15N3O2S2 |
|---|---|
| Molecular Weight | 369.06 g/mol |
| LogP | 4.37058 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.06058 |
| Heavy Atoms | 25 |
| Complexity | 951.0262 |
Chemical Identifiers
| CAS Number | 313481-45-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=CC=CC=C4O3)C#N |
Product Overview
ChemDiv1_002492 (CAS 313481-45-7), with molecular formula C18H15N3O2S2 and molecular weight 369.06 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide.
Chemical Property Profile of ChemDiv1_002492
Property Insights of ChemDiv1_002492
The XLogP value of 4.37058 indicates that ChemDiv1_002492 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002492. Following Lipinski's Rule of Five, ChemDiv1_002492 has 1 hydrogen bond donor(s) and 6 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_002492?
The CAS number of ChemDiv1_002492 is 313481-45-7.
What is the molecular formula of ChemDiv1_002492?
The molecular formula of ChemDiv1_002492 is C18H15N3O2S2.
What is the molecular weight of ChemDiv1_002492?
The molecular weight of ChemDiv1_002492 is 369.06 g/mol.
Where can I buy ChemDiv1_002492?
You can request a quote for ChemDiv1_002492 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002492?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002492 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.