ChemDiv1_005986
TL;DR: ChemDiv1_005986 (CAS 351007-77-7) is a chemical compound with molecular formula C20H20N2O4S2 and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[11-(4-methoxyphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate
Also Known As: ChemDiv1_005986, BAS 02376343, ethyl {[3-(4-methoxyphenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, ethyl 2-((3-(4-methoxyphenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate, ETHYL 2-{[3-(4-METHOXYPHENYL)-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE
| Molecular Formula | C20H20N2O4S2 |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 3.5997 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.08646 |
| Heavy Atoms | 28 |
| Complexity | 1086.2642 |
Chemical Identifiers
| CAS Number | 351007-77-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1C4=CC=C(C=C4)OC |
Product Overview
ChemDiv1_005986 (CAS 351007-77-7), with molecular formula C20H20N2O4S2 and molecular weight 416.09 g/mol. IUPAC: ethyl 2-[[11-(4-methoxyphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_005986
Property Insights of ChemDiv1_005986
The XLogP value of 3.5997 indicates that ChemDiv1_005986 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005986. Following Lipinski's Rule of Five, ChemDiv1_005986 has 0 hydrogen bond donor(s) and 7 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_005986?
The CAS number of ChemDiv1_005986 is 351007-77-7.
What is the molecular formula of ChemDiv1_005986?
The molecular formula of ChemDiv1_005986 is C20H20N2O4S2.
What is the molecular weight of ChemDiv1_005986?
The molecular weight of ChemDiv1_005986 is 416.09 g/mol.
Where can I buy ChemDiv1_005986?
You can request a quote for ChemDiv1_005986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005986?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.