1-环己基-5-丙基巴比妥酸
TL;DR: 1-环己基-5-丙基巴比妥酸 (CAS 890-04-0) is a chemical compound with molecular formula C13H20N2O3 and molecular weight 252.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-环己基-5-丙基巴比妥酸
1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
Also Known As: 1-Cyclohexyl-5-propylbarbituric acid, BARBITURIC ACID, 1-CYCLOHEXYL-5-PROPYL-, 1-Cyclohexyl-5-propyl-2,4,6 -pyrimidinetrione, 1-Cyclohexyl-5-propyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-24-09-00128 (Beilstein Handbook Reference)
| Molecular Formula | C13H20N2O3 |
|---|---|
| Molecular Weight | 252.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.1474 |
| Heavy Atoms | 18 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 890-04-0 |
|---|---|
| SMILES | CCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2 |
| InChIKey | RXDPKNUSKRDQNV-UHFFFAOYSA-N |
Product Overview
1-环己基-5-丙基巴比妥酸 (CAS 890-04-0), with molecular formula C13H20N2O3 and molecular weight 252.15 g/mol. IUPAC: 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-环己基-5-丙基巴比妥酸
Property Insights of 1-环己基-5-丙基巴比妥酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-环己基-5-丙基巴比妥酸. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-环己基-5-丙基巴比妥酸. Following Lipinski's Rule of Five, 1-环己基-5-丙基巴比妥酸 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 1-环己基-5-丙基巴比妥酸?
The CAS number of 1-环己基-5-丙基巴比妥酸 is 890-04-0.
What is the molecular formula of 1-环己基-5-丙基巴比妥酸?
The molecular formula of 1-环己基-5-丙基巴比妥酸 is C13H20N2O3.
What is the molecular weight of 1-环己基-5-丙基巴比妥酸?
The molecular weight of 1-环己基-5-丙基巴比妥酸 is 252.15 g/mol.
Where can I buy 1-环己基-5-丙基巴比妥酸?
You can request a quote for 1-环己基-5-丙基巴比妥酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-环己基-5-丙基巴比妥酸?
Yes, KEHONG BIO provides custom synthesis services for 1-环己基-5-丙基巴比妥酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.