ChemDiv1_028628
TL;DR: ChemDiv1_028628 (CAS 351005-36-2) is a chemical compound with molecular formula C26H25N3O3S and molecular weight 459.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-6-(4-methoxyphenyl)-13,13-dimethyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: ChemDiv1_028628, 2-(benzylsulfanyl)-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one, 2-(benzylthio)-3-(4-methoxyphenyl)-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
| Molecular Formula | C26H25N3O3S |
|---|---|
| Molecular Weight | 459.16 g/mol |
| LogP | 4.9329 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.16165 |
| Heavy Atoms | 33 |
| Complexity | 1365.9341 |
Chemical Identifiers
| CAS Number | 351005-36-2 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC=C(C=C5)OC)C |
Product Overview
ChemDiv1_028628 (CAS 351005-36-2), with molecular formula C26H25N3O3S and molecular weight 459.16 g/mol. IUPAC: 5-benzylsulfanyl-6-(4-methoxyphenyl)-13,13-dimethyl-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_028628
Property Insights of ChemDiv1_028628
The XLogP value of 4.9329 indicates that ChemDiv1_028628 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028628. Following Lipinski's Rule of Five, ChemDiv1_028628 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_028628?
The CAS number of ChemDiv1_028628 is 351005-36-2.
What is the molecular formula of ChemDiv1_028628?
The molecular formula of ChemDiv1_028628 is C26H25N3O3S.
What is the molecular weight of ChemDiv1_028628?
The molecular weight of ChemDiv1_028628 is 459.16 g/mol.
Where can I buy ChemDiv1_028628?
You can request a quote for ChemDiv1_028628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028628?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.