ChemDiv1_020606
TL;DR: ChemDiv1_020606 (CAS 313392-47-1) is a chemical compound with molecular formula C20H17N3O2S and molecular weight 363.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Also Known As: ChemDiv1_020606, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-methyl-3-phenyl-4-isoxazolecarboxamide, N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))(5-methyl-3-phenylisoxazol -4-yl)carboxamide
| Molecular Formula | C20H17N3O2S |
|---|---|
| Molecular Weight | 363.10 g/mol |
| LogP | 4.7143 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.10416 |
| Heavy Atoms | 26 |
| Complexity | 1011.8486 |
Chemical Identifiers
| CAS Number | 313392-47-1 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N |
Product Overview
ChemDiv1_020606 (CAS 313392-47-1), with molecular formula C20H17N3O2S and molecular weight 363.10 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of ChemDiv1_020606
Property Insights of ChemDiv1_020606
The XLogP value of 4.7143 indicates that ChemDiv1_020606 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_020606. Following Lipinski's Rule of Five, ChemDiv1_020606 has 1 hydrogen bond donor(s) and 5 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_020606?
The CAS number of ChemDiv1_020606 is 313392-47-1.
What is the molecular formula of ChemDiv1_020606?
The molecular formula of ChemDiv1_020606 is C20H17N3O2S.
What is the molecular weight of ChemDiv1_020606?
The molecular weight of ChemDiv1_020606 is 363.10 g/mol.
Where can I buy ChemDiv1_020606?
You can request a quote for ChemDiv1_020606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020606?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.