ChemDiv2_004401
TL;DR: ChemDiv2_004401 (CAS 496019-66-0) is a chemical compound with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide
Also Known As: ChemDiv2_004401, IDI1_003116, F1132-0794, AP-845/41115593, 2-methyl-4-oxo-N-(4-phenylthiazol-2-yl)-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3]oxazocine-5-carboxamide
| Molecular Formula | C22H19N3O3S |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 3.7771 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.11472 |
| Heavy Atoms | 29 |
| Complexity | 1097.4467 |
Chemical Identifiers
| CAS Number | 496019-66-0 |
|---|---|
| SMILES | CC12CC(C(C(=O)N1)C(=O)NC3=NC(=CS3)C4=CC=CC=C4)C5=CC=CC=C5O2 |
Product Overview
ChemDiv2_004401 (CAS 496019-66-0), with molecular formula C22H19N3O3S and molecular weight 405.11 g/mol. IUPAC: 9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide.
Chemical Property Profile of ChemDiv2_004401
Property Insights of ChemDiv2_004401
The XLogP value of 3.7771 indicates that ChemDiv2_004401 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004401. Following Lipinski's Rule of Five, ChemDiv2_004401 has 2 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 ChemDiv2_004401?
The CAS number of ChemDiv2_004401 is 496019-66-0.
What is the molecular formula of ChemDiv2_004401?
The molecular formula of ChemDiv2_004401 is C22H19N3O3S.
What is the molecular weight of ChemDiv2_004401?
The molecular weight of ChemDiv2_004401 is 405.11 g/mol.
Where can I buy ChemDiv2_004401?
You can request a quote for ChemDiv2_004401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004401?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.