ChemDiv1_006269
TL;DR: ChemDiv1_006269 (CAS 351160-16-2) is a chemical compound with molecular formula C18H19N3OS2 and molecular weight 357.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-4-(2-phenylethyl)-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: ChemDiv1_006269, BIM-0018150.P001, 7-METHYL-3-PHENETHYL-2-THIOXO-2,3,5,6,7,8-HEXAHYDROPYRIDO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4(1H)-ONE, 7-methyl-3-(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-methyl-3-(2-phenylethyl)-2-sulfanylidene-1,5,6,8-tetrahydropyrido[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C18H19N3OS2 |
|---|---|
| Molecular Weight | 357.10 g/mol |
| LogP | 3.35119 |
| Topological Polar Surface Area | 41.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.09695 |
| Heavy Atoms | 24 |
| Complexity | 1000.76117 |
Chemical Identifiers
| CAS Number | 351160-16-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)CCC4=CC=CC=C4 |
Product Overview
ChemDiv1_006269 (CAS 351160-16-2), with molecular formula C18H19N3OS2 and molecular weight 357.10 g/mol. IUPAC: 11-methyl-4-(2-phenylethyl)-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of ChemDiv1_006269
Property Insights of ChemDiv1_006269
The XLogP value of 3.35119 indicates that ChemDiv1_006269 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.03 Ų, ChemDiv1_006269 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006269 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_006269?
The CAS number of ChemDiv1_006269 is 351160-16-2.
What is the molecular formula of ChemDiv1_006269?
The molecular formula of ChemDiv1_006269 is C18H19N3OS2.
What is the molecular weight of ChemDiv1_006269?
The molecular weight of ChemDiv1_006269 is 357.10 g/mol.
Where can I buy ChemDiv1_006269?
You can request a quote for ChemDiv1_006269 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006269?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006269 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.