ChemDiv1_001332
TL;DR: ChemDiv1_001332 (CAS 309945-58-2) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pyridin-4-yl-4-oxa-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: ChemDiv1_001332, AE-848/34090093, 2-(4-pyridinyl)-6,7,8,9-tetrahydro-4H,5H-cyclohepta[4,5]thieno[2,3-d][1,3]oxazin-4-one, 2-(4-pyridyl)-5,6,7,8,9-pentahydrocyclohepta[1,2-d]1,3-oxazino[4,5-b]thiophen- 4-one, 2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b][1,3]oxazin-4-one
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 309945-58-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)OC(=N3)C4=CC=NC=C4 |
| InChIKey | VJUYJIMTTPMGKQ-UHFFFAOYSA-N |
Product Overview
ChemDiv1_001332 (CAS 309945-58-2), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: 5-pyridin-4-yl-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_001332
Property Insights of ChemDiv1_001332
The XLogP value of 3.6 indicates that ChemDiv1_001332 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001332. Following Lipinski's Rule of Five, ChemDiv1_001332 has 0 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_001332?
The CAS number of ChemDiv1_001332 is 309945-58-2.
What is the molecular formula of ChemDiv1_001332?
The molecular formula of ChemDiv1_001332 is C16H14N2O2S.
What is the molecular weight of ChemDiv1_001332?
The molecular weight of ChemDiv1_001332 is 298.08 g/mol.
Where can I buy ChemDiv1_001332?
You can request a quote for ChemDiv1_001332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001332?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.