1-环己基-5-异丙基巴比妥酸
TL;DR: 1-环己基-5-异丙基巴比妥酸 (CAS 839-65-6) 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-异丙基巴比妥酸
1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: 1-Cyclohexyl-5-isopropylbarbituric acid, 1-Cyclohexyl-5-isopropylbarbituricacid, BARBITURIC ACID, 1-CYCLOHEXYL-5-ISOPROPYL-, 5-24-09-00129 (Beilstein Handbook Reference), 1-Cyclohexyl-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C13H20N2O3 |
|---|---|
| Molecular Weight | 252.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.1474 |
| Heavy Atoms | 18 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 839-65-6 |
|---|---|
| SMILES | CC(C)C1C(=O)NC(=O)N(C1=O)C2CCCCC2 |
| InChIKey | AXXCGIMLMVLZKI-UHFFFAOYSA-N |
Product Overview
1-环己基-5-异丙基巴比妥酸 (CAS 839-65-6), with molecular formula C13H20N2O3 and molecular weight 252.15 g/mol. IUPAC: 1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-环己基-5-异丙基巴比妥酸
Property Insights of 1-环己基-5-异丙基巴比妥酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-环己基-5-异丙基巴比妥酸. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-环己基-5-异丙基巴比妥酸. Following Lipinski's Rule of Five, 1-环己基-5-异丙基巴比妥酸 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-异丙基巴比妥酸?
The CAS number of 1-环己基-5-异丙基巴比妥酸 is 839-65-6.
What is the molecular formula of 1-环己基-5-异丙基巴比妥酸?
The molecular formula of 1-环己基-5-异丙基巴比妥酸 is C13H20N2O3.
What is the molecular weight of 1-环己基-5-异丙基巴比妥酸?
The molecular weight of 1-环己基-5-异丙基巴比妥酸 is 252.15 g/mol.
Where can I buy 1-环己基-5-异丙基巴比妥酸?
You can request a quote for 1-环己基-5-异丙基巴比妥酸 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-异丙基巴比妥酸?
Yes, KEHONG BIO provides custom synthesis services for 1-环己基-5-异丙基巴比妥酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.