![3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione structure](/static/products/7751/77517-00-1.webp)
3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
TL;DR: 3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione (CAS 77517-00-1) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
Also Known As: ChemDiv2_003628, IDI1_002343, 3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione, 3-benzyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione, 5-benzyl-2,3,5,7-tetrahydro-5,7-diazaindene-4,6-dione
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 77517-00-1 |
|---|---|
| SMILES | C1CC2=C(C1)NC(=O)N(C2=O)CC3=CC=CC=C3 |
| InChIKey | HFNNVTDQJNQXSX-UHFFFAOYSA-N |
Product Overview
3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione (CAS 77517-00-1), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: 3-benzyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.
Chemical Property Profile of 3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
Property Insights of 3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione has 1 hydrogen bond donor(s) and 2 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-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione?
The CAS number of 3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione is 77517-00-1.
What is the molecular formula of 3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione?
The molecular formula of 3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione is C14H14N2O2.
What is the molecular weight of 3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione?
The molecular weight of 3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione is 242.11 g/mol.
Where can I buy 3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione?
You can request a quote for 3-benzyl-6,7-dihydro-1H-cyclopenta[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-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.