ChemDiv1_023012
TL;DR: ChemDiv1_023012 (CAS 267665-52-1) is a chemical compound with molecular formula C26H23N3O3S and molecular weight 457.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,13-dimethyl-5-phenacylsulfanyl-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_023012, 8,8-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one, 8,8-dimethyl-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
| Molecular Formula | C26H23N3O3S |
|---|---|
| Molecular Weight | 457.15 g/mol |
| LogP | 4.607 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.14603 |
| Heavy Atoms | 33 |
| Complexity | 1399.4858 |
Chemical Identifiers
| CAS Number | 267665-52-1 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C |
Product Overview
ChemDiv1_023012 (CAS 267665-52-1), with molecular formula C26H23N3O3S and molecular weight 457.15 g/mol. IUPAC: 13,13-dimethyl-5-phenacylsulfanyl-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_023012
Property Insights of ChemDiv1_023012
The XLogP value of 4.607 indicates that ChemDiv1_023012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023012. Following Lipinski's Rule of Five, ChemDiv1_023012 has 0 hydrogen bond donor(s) and 6 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_023012?
The CAS number of ChemDiv1_023012 is 267665-52-1.
What is the molecular formula of ChemDiv1_023012?
The molecular formula of ChemDiv1_023012 is C26H23N3O3S.
What is the molecular weight of ChemDiv1_023012?
The molecular weight of ChemDiv1_023012 is 457.15 g/mol.
Where can I buy ChemDiv1_023012?
You can request a quote for ChemDiv1_023012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023012?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.