ChemDiv1_006030
TL;DR: ChemDiv1_006030 (CAS 351007-82-4) is a chemical compound with molecular formula C20H22N2O2S2 and molecular weight 386.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-4-ethyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: ChemDiv1_006030, 2-(benzylsulfanyl)-3-ethyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-(benzylthio)-3-ethyl-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C20H22N2O2S2 |
|---|---|
| Molecular Weight | 386.11 g/mol |
| LogP | 4.6215 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.11227 |
| Heavy Atoms | 26 |
| Complexity | 1006.06335 |
Chemical Identifiers
| CAS Number | 351007-82-4 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC3=CC=CC=C3)SC4=C2CC(OC4)(C)C |
Product Overview
ChemDiv1_006030 (CAS 351007-82-4), with molecular formula C20H22N2O2S2 and molecular weight 386.11 g/mol. IUPAC: 5-benzylsulfanyl-4-ethyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of ChemDiv1_006030
Property Insights of ChemDiv1_006030
The XLogP value of 4.6215 indicates that ChemDiv1_006030 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, ChemDiv1_006030 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006030 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 ChemDiv1_006030?
The CAS number of ChemDiv1_006030 is 351007-82-4.
What is the molecular formula of ChemDiv1_006030?
The molecular formula of ChemDiv1_006030 is C20H22N2O2S2.
What is the molecular weight of ChemDiv1_006030?
The molecular weight of ChemDiv1_006030 is 386.11 g/mol.
Where can I buy ChemDiv1_006030?
You can request a quote for ChemDiv1_006030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006030?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.