ChemDiv2_004100
TL;DR: ChemDiv2_004100 (CAS 263402-91-1) is a chemical compound with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-5-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: ChemDiv2_004100, BAS 04207199, IDI1_002815, 6,6-Dimethyl-2-phenyl-3,5,6,8-tetrahydro-7-oxa-9-thia-1,3-diaza-fluoren-4-one, 6,6-dimethyl-2-phenyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C17H16N2O2S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.09326 |
| Heavy Atoms | 22 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 263402-91-1 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)NC(=N3)C4=CC=CC=C4)C |
| InChIKey | JGPQIYWXYWSUHW-UHFFFAOYSA-N |
Product Overview
ChemDiv2_004100 (CAS 263402-91-1), with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol. IUPAC: 12,12-dimethyl-5-phenyl-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 ChemDiv2_004100
Property Insights of ChemDiv2_004100
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004100. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004100. Following Lipinski's Rule of Five, ChemDiv2_004100 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 ChemDiv2_004100?
The CAS number of ChemDiv2_004100 is 263402-91-1.
What is the molecular formula of ChemDiv2_004100?
The molecular formula of ChemDiv2_004100 is C17H16N2O2S.
What is the molecular weight of ChemDiv2_004100?
The molecular weight of ChemDiv2_004100 is 312.09 g/mol.
Where can I buy ChemDiv2_004100?
You can request a quote for ChemDiv2_004100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004100?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.