![3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione structure](/static/products/3092/309273-77-6.webp)
3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
TL;DR: 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione (CAS 309273-77-6) is a chemical compound with molecular formula C15H11ClN2O2S and molecular weight 318.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
Also Known As: 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione, BAS 01025838, 3-(4-Chlorophenyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione, 11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione,
11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6 )-diene-10,12-dione
| Molecular Formula | C15H11ClN2O2S |
|---|---|
| Molecular Weight | 318.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.02298 |
| Heavy Atoms | 21 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 309273-77-6 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3)C4=CC=C(C=C4)Cl |
| InChIKey | GBVSBJKLTXTKKF-UHFFFAOYSA-N |
Product Overview
3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione (CAS 309273-77-6), with molecular formula C15H11ClN2O2S and molecular weight 318.02 g/mol. IUPAC: 11-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione.
Chemical Property Profile of 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Property Insights of 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
The XLogP value of 3.5 indicates that 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione has 1 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 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The CAS number of 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is 309273-77-6.
What is the molecular formula of 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The molecular formula of 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is C15H11ClN2O2S.
What is the molecular weight of 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The molecular weight of 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is 318.02 g/mol.
Where can I buy 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
You can request a quote for 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.