![3-(3-chlorophenyl)-1-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione structure](/static/products/799/799787-08-9.png)
3-(3-chlorophenyl)-1-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
TL;DR: 3-(3-chlorophenyl)-1-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione (CAS 799787-08-9) is a chemical compound with molecular formula C22H16ClFN2O2S and molecular weight 426.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(3-chlorophenyl)-9-[(4-fluorophenyl)methyl]-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-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione, 3-(3-chlorophenyl)-1-(4-fluorobenzyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C22H16ClFN2O2S |
|---|---|
| Molecular Weight | 426.06 g/mol |
| LogP | 4.5434 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.06052 |
| Heavy Atoms | 29 |
| Complexity | 1368.8242 |
Chemical Identifiers
| CAS Number | 799787-08-9 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC=C(C=C4)F)C5=CC(=CC=C5)Cl |
Product Overview
3-(3-chlorophenyl)-1-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione (CAS 799787-08-9), with molecular formula C22H16ClFN2O2S and molecular weight 426.06 g/mol. IUPAC: 11-(3-chlorophenyl)-9-[(4-fluorophenyl)methyl]-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-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Property Insights of 3-(3-chlorophenyl)-1-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
The XLogP value of 4.5434 indicates that 3-(3-chlorophenyl)-1-(4-fluorobenzyl)-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. With a topological polar surface area (TPSA) of 44.0 Ų, 3-(3-chlorophenyl)-1-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-1-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione 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 3-(3-chlorophenyl)-1-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The CAS number of 3-(3-chlorophenyl)-1-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is 799787-08-9.
What is the molecular formula of 3-(3-chlorophenyl)-1-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The molecular formula of 3-(3-chlorophenyl)-1-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is C22H16ClFN2O2S.
What is the molecular weight of 3-(3-chlorophenyl)-1-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The molecular weight of 3-(3-chlorophenyl)-1-(4-fluorobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is 426.06 g/mol.
Where can I buy 3-(3-chlorophenyl)-1-(4-fluorobenzyl)-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-(3-chlorophenyl)-1-(4-fluorobenzyl)-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-(3-chlorophenyl)-1-(4-fluorobenzyl)-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-(3-chlorophenyl)-1-(4-fluorobenzyl)-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.