ChemDiv1_004311
TL;DR: ChemDiv1_004311 (CAS 312949-51-2) 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-(3-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_004311, BIM-0042709.P001, 2-(3-methylphenyl)-6,7,8,9-tetrahydro-4H,5H-cyclohepta[4,5]thieno[2,3-d][1,3]oxazin-4-one, 2-(3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b][1,3]oxazin-4-one, 2-(3-methylphenyl)-5,6,7,8,9-pentahydrocyclohepta[1,2-d]1,3-oxazino[4,5-b]thio phen-4-one
| Molecular Formula | C18H17NO2S |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.098 |
| Heavy Atoms | 22 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 312949-51-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC3=C(C4=C(S3)CCCCC4)C(=O)O2 |
| InChIKey | QWEIJOXSWGAPCM-UHFFFAOYSA-N |
Product Overview
ChemDiv1_004311 (CAS 312949-51-2), with molecular formula C18H17NO2S and molecular weight 311.10 g/mol. IUPAC: 5-(3-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_004311
Property Insights of ChemDiv1_004311
The XLogP value of 5.1 indicates that ChemDiv1_004311 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004311. Following Lipinski's Rule of Five, ChemDiv1_004311 has 0 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_004311?
The CAS number of ChemDiv1_004311 is 312949-51-2.
What is the molecular formula of ChemDiv1_004311?
The molecular formula of ChemDiv1_004311 is C18H17NO2S.
What is the molecular weight of ChemDiv1_004311?
The molecular weight of ChemDiv1_004311 is 311.10 g/mol.
Where can I buy ChemDiv1_004311?
You can request a quote for ChemDiv1_004311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004311?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.