ChemDiv3_008687
TL;DR: ChemDiv3_008687 (CAS 866015-90-9) is a chemical compound with molecular formula C22H17ClN2O2S and molecular weight 408.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(3-chlorophenyl)methyl]-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
Also Known As: ChemDiv3_008687, IDI1_026597, BRD-K43539254-001-01-2, F1601-0581, 1-(3-chlorobenzyl)-3-phenyl-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C22H17ClN2O2S |
|---|---|
| Molecular Weight | 408.07 g/mol |
| LogP | 4.4043 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.06992 |
| Heavy Atoms | 28 |
| Complexity | 1318.3623 |
Chemical Identifiers
| CAS Number | 866015-90-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC(=CC=C4)Cl)C5=CC=CC=C5 |
Product Overview
ChemDiv3_008687 (CAS 866015-90-9), with molecular formula C22H17ClN2O2S and molecular weight 408.07 g/mol. IUPAC: 9-[(3-chlorophenyl)methyl]-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione.
Chemical Property Profile of ChemDiv3_008687
Property Insights of ChemDiv3_008687
The XLogP value of 4.4043 indicates that ChemDiv3_008687 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, ChemDiv3_008687 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_008687 has 0 hydrogen bond donor(s) and 3 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_008687?
The CAS number of ChemDiv3_008687 is 866015-90-9.
What is the molecular formula of ChemDiv3_008687?
The molecular formula of ChemDiv3_008687 is C22H17ClN2O2S.
What is the molecular weight of ChemDiv3_008687?
The molecular weight of ChemDiv3_008687 is 408.07 g/mol.
Where can I buy ChemDiv3_008687?
You can request a quote for ChemDiv3_008687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008687?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.