5-丁基-1,3-二环己基巴比妥酸
TL;DR: 5-丁基-1,3-二环己基巴比妥酸 (CAS 745-33-5) is a chemical compound with molecular formula C20H32N2O3 and molecular weight 348.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-丁基-1,3-二环己基巴比妥酸
5-butyl-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Butyl-1,3-dicyclohexylbarbituric acid, BARBITURIC ACID, 5-BUTYL-1,3-DICYCLOHEXYL-, 5-24-09-00132 (Beilstein Handbook Reference), 5-Butyl-1,3-dicyclohexyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-butyl-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H32N2O3 |
|---|---|
| Molecular Weight | 348.24 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.2413 |
| Heavy Atoms | 25 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 745-33-5 |
|---|---|
| SMILES | CCCCC1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3 |
| InChIKey | KEZCZZBMMHJFMN-UHFFFAOYSA-N |
Product Overview
5-丁基-1,3-二环己基巴比妥酸 (CAS 745-33-5), with molecular formula C20H32N2O3 and molecular weight 348.24 g/mol. IUPAC: 5-butyl-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-丁基-1,3-二环己基巴比妥酸
Property Insights of 5-丁基-1,3-二环己基巴比妥酸
The XLogP value of 4.8 indicates that 5-丁基-1,3-二环己基巴比妥酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, 5-丁基-1,3-二环己基巴比妥酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-丁基-1,3-二环己基巴比妥酸 has 0 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-丁基-1,3-二环己基巴比妥酸?
The CAS number of 5-丁基-1,3-二环己基巴比妥酸 is 745-33-5.
What is the molecular formula of 5-丁基-1,3-二环己基巴比妥酸?
The molecular formula of 5-丁基-1,3-二环己基巴比妥酸 is C20H32N2O3.
What is the molecular weight of 5-丁基-1,3-二环己基巴比妥酸?
The molecular weight of 5-丁基-1,3-二环己基巴比妥酸 is 348.24 g/mol.
Where can I buy 5-丁基-1,3-二环己基巴比妥酸?
You can request a quote for 5-丁基-1,3-二环己基巴比妥酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-丁基-1,3-二环己基巴比妥酸?
Yes, KEHONG BIO provides custom synthesis services for 5-丁基-1,3-二环己基巴比妥酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.