ChemDiv2_003599
TL;DR: ChemDiv2_003599 (CAS 351008-38-3) 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.
5-ethylsulfanyl-11-methyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: ChemDiv2_003599, BAS 02376531, IDI1_002314, 2-Ethylsulfanyl-7-methyl-3-phenyl-5,6,7,8-tetrahydro-3H-9-thia-1,3,7-triaza-fluoren-4-one, 2-ethylsulfanyl-7-methyl-3-phenyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C18H19N3OS2 |
|---|---|
| Molecular Weight | 357.10 g/mol |
| LogP | 3.5471 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.09695 |
| Heavy Atoms | 24 |
| Complexity | 946.29254 |
Chemical Identifiers
| CAS Number | 351008-38-3 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4=CC=CC=C4 |
Product Overview
ChemDiv2_003599 (CAS 351008-38-3), with molecular formula C18H19N3OS2 and molecular weight 357.10 g/mol. IUPAC: 5-ethylsulfanyl-11-methyl-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of ChemDiv2_003599
Property Insights of ChemDiv2_003599
The XLogP value of 3.5471 indicates that ChemDiv2_003599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, ChemDiv2_003599 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_003599 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 ChemDiv2_003599?
The CAS number of ChemDiv2_003599 is 351008-38-3.
What is the molecular formula of ChemDiv2_003599?
The molecular formula of ChemDiv2_003599 is C18H19N3OS2.
What is the molecular weight of ChemDiv2_003599?
The molecular weight of ChemDiv2_003599 is 357.10 g/mol.
Where can I buy ChemDiv2_003599?
You can request a quote for ChemDiv2_003599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003599?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.