5-仲丁基-1-环己基巴比妥酸
TL;DR: 5-仲丁基-1-环己基巴比妥酸 (CAS 841-72-5) is a chemical compound with molecular formula C14H22N2O3 and molecular weight 266.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-仲丁基-1-环己基巴比妥酸
5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-sec-Butyl-1-cyclohexylbarbituric acid, BARBITURIC ACID, 5-sec-BUTYL-1-CYCLOHEXYL-, 5-24-09-00136 (Beilstein Handbook Reference), 5-sec-butyl-1-cyclohexyl-pyrimidine-2,4,6-trione, 5-sec-Butyl-1-cyclohexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C14H22N2O3 |
|---|---|
| Molecular Weight | 266.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.16306 |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 841-72-5 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(=O)N(C1=O)C2CCCCC2 |
| InChIKey | IIZVQKTYLZFJCU-UHFFFAOYSA-N |
Product Overview
5-仲丁基-1-环己基巴比妥酸 (CAS 841-72-5), with molecular formula C14H22N2O3 and molecular weight 266.16 g/mol. IUPAC: 5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-仲丁基-1-环己基巴比妥酸
Property Insights of 5-仲丁基-1-环己基巴比妥酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-仲丁基-1-环己基巴比妥酸. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-仲丁基-1-环己基巴比妥酸. Following Lipinski's Rule of Five, 5-仲丁基-1-环己基巴比妥酸 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 5-仲丁基-1-环己基巴比妥酸?
The CAS number of 5-仲丁基-1-环己基巴比妥酸 is 841-72-5.
What is the molecular formula of 5-仲丁基-1-环己基巴比妥酸?
The molecular formula of 5-仲丁基-1-环己基巴比妥酸 is C14H22N2O3.
What is the molecular weight of 5-仲丁基-1-环己基巴比妥酸?
The molecular weight of 5-仲丁基-1-环己基巴比妥酸 is 266.16 g/mol.
Where can I buy 5-仲丁基-1-环己基巴比妥酸?
You can request a quote for 5-仲丁基-1-环己基巴比妥酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-仲丁基-1-环己基巴比妥酸?
Yes, KEHONG BIO provides custom synthesis services for 5-仲丁基-1-环己基巴比妥酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.