RefChem:1072507
TL;DR: RefChem:1072507 (CAS 66940-64-5) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyclopent-2-en-1-yl-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-(2-Cyclopentenyl)-5-(2-methylallyl)barbituric acid, 4-24-00-02068 (Beilstein Handbook Reference), BARBITURIC ACID, 5-(2-CYCLOPENTENYL)-5-(2-METHYLALLYL)-, 5-(2-Cyclopentenyl)-5-(2-methyl-2-propenyl)barbituric acid, 5-(Cyclopent-2-en-1-yl)-4,6-dihydroxy-5-(2-methylprop-2-en-1-yl)pyrimidin-2(5H)-one
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 66940-64-5 |
|---|---|
| SMILES | CC(=C)CC1(C(=O)NC(=O)NC1=O)C2CCC=C2 |
| InChIKey | WWHBHUFPRYYVDV-UHFFFAOYSA-N |
Product Overview
RefChem:1072507 (CAS 66940-64-5), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: 5-cyclopent-2-en-1-yl-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of RefChem:1072507
Property Insights of RefChem:1072507
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1072507. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1072507. Following Lipinski's Rule of Five, RefChem:1072507 has 2 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 RefChem:1072507?
The CAS number of RefChem:1072507 is 66940-64-5.
What is the molecular formula of RefChem:1072507?
The molecular formula of RefChem:1072507 is C13H16N2O3.
What is the molecular weight of RefChem:1072507?
The molecular weight of RefChem:1072507 is 248.12 g/mol.
Where can I buy RefChem:1072507?
You can request a quote for RefChem:1072507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072507?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.