ChemDiv1_006093
TL;DR: ChemDiv1_006093 (CAS 351007-23-3) is a chemical compound with molecular formula C15H20N2O2S2 and molecular weight 324.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-4-(2-methylpropyl)-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_006093, BIM-0015962.P001, AJ-292/15365040, 3-isobutyl-6,6-dimethyl-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 12,12-Dimethyl-4-(2-methylpropyl)-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
| Molecular Formula | C15H20N2O2S2 |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.09662 |
| Heavy Atoms | 21 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 351007-23-3 |
|---|---|
| SMILES | CC(C)CN1C(=O)C2=C(NC1=S)SC3=C2CC(OC3)(C)C |
| InChIKey | ZKFALRSWUBURMG-UHFFFAOYSA-N |
Product Overview
ChemDiv1_006093 (CAS 351007-23-3), with molecular formula C15H20N2O2S2 and molecular weight 324.10 g/mol. IUPAC: 12,12-dimethyl-4-(2-methylpropyl)-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_006093
Property Insights of ChemDiv1_006093
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_006093. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006093. Following Lipinski's Rule of Five, ChemDiv1_006093 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_006093?
The CAS number of ChemDiv1_006093 is 351007-23-3.
What is the molecular formula of ChemDiv1_006093?
The molecular formula of ChemDiv1_006093 is C15H20N2O2S2.
What is the molecular weight of ChemDiv1_006093?
The molecular weight of ChemDiv1_006093 is 324.10 g/mol.
Where can I buy ChemDiv1_006093?
You can request a quote for ChemDiv1_006093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006093?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.