ChemDiv1_007358
TL;DR: ChemDiv1_007358 (CAS 362491-66-5) is a chemical compound with molecular formula C18H17NO2S and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-4-oxa-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: ChemDiv1_007358, BIM-0016222.P001, 2-(4-methylphenyl)-6,7,8,9-tetrahydro-4H,5H-cyclohepta[4,5]thieno[2,3-d][1,3]oxazin-4-one, 2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b][1,3]oxazin-4-one
| Molecular Formula | C18H17NO2S |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 4.49382 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.098 |
| Heavy Atoms | 22 |
| Complexity | 889.8314 |
Chemical Identifiers
| CAS Number | 362491-66-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)CCCCC4)C(=O)O2 |
Product Overview
ChemDiv1_007358 (CAS 362491-66-5), with molecular formula C18H17NO2S and molecular weight 311.10 g/mol. IUPAC: 5-(4-methylphenyl)-4-oxa-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of ChemDiv1_007358
Property Insights of ChemDiv1_007358
The XLogP value of 4.49382 indicates that ChemDiv1_007358 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, ChemDiv1_007358 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_007358 has 0 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_007358?
The CAS number of ChemDiv1_007358 is 362491-66-5.
What is the molecular formula of ChemDiv1_007358?
The molecular formula of ChemDiv1_007358 is C18H17NO2S.
What is the molecular weight of ChemDiv1_007358?
The molecular weight of ChemDiv1_007358 is 311.10 g/mol.
Where can I buy ChemDiv1_007358?
You can request a quote for ChemDiv1_007358 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007358?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007358 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.