ChemDiv3_006932
TL;DR: ChemDiv3_006932 (CAS 841206-96-0) is a chemical compound with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-methoxyphenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
Also Known As: ChemDiv3_006932, IDI1_024842, 2-(4-methoxyphenyl)-1,2,3,5,6,7-hexahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
| Molecular Formula | C16H16N2O2S |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 3.0995 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.09326 |
| Heavy Atoms | 21 |
| Complexity | 705.8122 |
Chemical Identifiers
| CAS Number | 841206-96-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2NC3=C(C4=C(S3)CCC4)C(=O)N2 |
Product Overview
ChemDiv3_006932 (CAS 841206-96-0), with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol. IUPAC: 10-(4-methoxyphenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one.
Chemical Property Profile of ChemDiv3_006932
Property Insights of ChemDiv3_006932
The XLogP value of 3.0995 indicates that ChemDiv3_006932 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, ChemDiv3_006932 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_006932 has 2 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 ChemDiv3_006932?
The CAS number of ChemDiv3_006932 is 841206-96-0.
What is the molecular formula of ChemDiv3_006932?
The molecular formula of ChemDiv3_006932 is C16H16N2O2S.
What is the molecular weight of ChemDiv3_006932?
The molecular weight of ChemDiv3_006932 is 300.09 g/mol.
Where can I buy ChemDiv3_006932?
You can request a quote for ChemDiv3_006932 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006932?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006932 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.