ChemDiv1_006162
TL;DR: ChemDiv1_006162 (CAS 351008-10-1) is a chemical compound with molecular formula C16H20N2O2S2 and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-ethyl-12-methyl-4-(2-methylprop-2-enyl)-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: ChemDiv1_006162, BIM-0017963.P001, 12-Ethyl-12-methyl-4-(2-methylprop-2-enyl)-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one, 6-ethyl-6-methyl-3-(2-methylprop-2-en-1-yl)-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 6-ethyl-6-methyl-3-(2-methylprop-2-en-1-yl)-2-sulfanyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C16H20N2O2S2 |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 3.93809 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.09662 |
| Heavy Atoms | 22 |
| Complexity | 874.6238 |
Chemical Identifiers
| CAS Number | 351008-10-1 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C(=O)N(C(=S)N3)CC(=C)C)C |
Product Overview
ChemDiv1_006162 (CAS 351008-10-1), with molecular formula C16H20N2O2S2 and molecular weight 336.10 g/mol. IUPAC: 12-ethyl-12-methyl-4-(2-methylprop-2-enyl)-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of ChemDiv1_006162
Property Insights of ChemDiv1_006162
The XLogP value of 3.93809 indicates that ChemDiv1_006162 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, ChemDiv1_006162 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006162 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_006162?
The CAS number of ChemDiv1_006162 is 351008-10-1.
What is the molecular formula of ChemDiv1_006162?
The molecular formula of ChemDiv1_006162 is C16H20N2O2S2.
What is the molecular weight of ChemDiv1_006162?
The molecular weight of ChemDiv1_006162 is 336.10 g/mol.
Where can I buy ChemDiv1_006162?
You can request a quote for ChemDiv1_006162 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006162?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006162 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.