ChemDiv1_021767
TL;DR: ChemDiv1_021767 (CAS 303051-70-9) 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.
6-benzyl-13,13-dimethyl-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one
Also Known As: ChemDiv1_021767, 3-benzyl-8,8-dimethyl-2-thioxo-1,2,3,6,8,9-hexahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one, 6-Benzyl-13,13-dimethyl-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one, 6-benzyl-13,13-dimethyl-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-trien-7-one, 3-benzyl-8,8-dimethyl-2-thioxo-2,3,8,9-tetrahydro-1H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
| Molecular Formula | C19H19N3O2S |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 3.35369 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.1198 |
| Heavy Atoms | 25 |
| Complexity | 1067.7047 |
Chemical Identifiers
| CAS Number | 303051-70-9 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=S)N3)CC4=CC=CC=C4)C |
Product Overview
ChemDiv1_021767 (CAS 303051-70-9), with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol. IUPAC: 6-benzyl-13,13-dimethyl-5-sulfanylidene-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-trien-7-one.
Chemical Property Profile of ChemDiv1_021767
Property Insights of ChemDiv1_021767
The XLogP value of 3.35369 indicates that ChemDiv1_021767 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.91 Ų, ChemDiv1_021767 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021767 has 1 hydrogen bond donor(s) and 4 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_021767?
The CAS number of ChemDiv1_021767 is 303051-70-9.
What is the molecular formula of ChemDiv1_021767?
The molecular formula of ChemDiv1_021767 is C19H19N3O2S.
What is the molecular weight of ChemDiv1_021767?
The molecular weight of ChemDiv1_021767 is 353.12 g/mol.
Where can I buy ChemDiv1_021767?
You can request a quote for ChemDiv1_021767 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021767?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021767 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.