![3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione structure](/static/products/848/848685-13-2.png)
3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
TL;DR: 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione (CAS 848685-13-2) is a chemical compound with molecular formula C25H21ClN2O4S and molecular weight 480.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(3-chlorophenyl)-9-[2-(4-ethoxyphenyl)-2-oxoethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
Also Known As: 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione, 3-(3-chlorophenyl)-1-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
| Molecular Formula | C25H21ClN2O4S |
|---|---|
| Molecular Weight | 480.09 g/mol |
| LogP | 4.6376 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.09106 |
| Heavy Atoms | 33 |
| Complexity | 1498.1034 |
Chemical Identifiers
| CAS Number | 848685-13-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)CN2C3=C(C4=C(S3)CCC4)C(=O)N(C2=O)C5=CC(=CC=C5)Cl |
Product Overview
3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione (CAS 848685-13-2), with molecular formula C25H21ClN2O4S and molecular weight 480.09 g/mol. IUPAC: 11-(3-chlorophenyl)-9-[2-(4-ethoxyphenyl)-2-oxoethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione.
Chemical Property Profile of 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
Property Insights of 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
The XLogP value of 4.6376 indicates that 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione has 0 hydrogen bond donor(s) and 5 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 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
The CAS number of 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is 848685-13-2.
What is the molecular formula of 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
The molecular formula of 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is C25H21ClN2O4S.
What is the molecular weight of 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
The molecular weight of 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione is 480.09 g/mol.
Where can I buy 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
You can request a quote for 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-1-(2-(4-ethoxyphenyl)-2-oxoethyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.