ChemDiv1_028672
TL;DR: ChemDiv1_028672 (CAS 267665-50-9) is a chemical compound with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,13-dimethyl-5-methylsulfanyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: ChemDiv1_028672, BAS 02287713, 4h-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one, 3,6,8,9-tetrahydro-8,8-dimethyl-2-(methylthio)-3-phenyl-, 8,8-dimethyl-2-(methylsulfanyl)-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one, 8,8-dimethyl-2-(methylthio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
| Molecular Formula | C19H19N3O2S |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.1198 |
| Heavy Atoms | 25 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 267665-50-9 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=N3)SC)C4=CC=CC=C4)C |
| InChIKey | DJKHQBKFTOQSJX-UHFFFAOYSA-N |
Product Overview
ChemDiv1_028672 (CAS 267665-50-9), with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol. IUPAC: 13,13-dimethyl-5-methylsulfanyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one.
Chemical Property Profile of ChemDiv1_028672
Property Insights of ChemDiv1_028672
The XLogP value of 3.0 indicates that ChemDiv1_028672 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028672. Following Lipinski's Rule of Five, ChemDiv1_028672 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_028672?
The CAS number of ChemDiv1_028672 is 267665-50-9.
What is the molecular formula of ChemDiv1_028672?
The molecular formula of ChemDiv1_028672 is C19H19N3O2S.
What is the molecular weight of ChemDiv1_028672?
The molecular weight of ChemDiv1_028672 is 353.12 g/mol.
Where can I buy ChemDiv1_028672?
You can request a quote for ChemDiv1_028672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028672?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.