5-(1,3-二甲基丁基)-5-乙基巴比妥酸
TL;DR: 5-(1,3-二甲基丁基)-5-乙基巴比妥酸 (CAS 2964-06-9) is a chemical compound with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-二甲基丁基)-5-乙基巴比妥酸
5-ethyl-5-(4-methylpentan-2-yl)-1,3-diazinane-2,4,6-trione
Also Known As: Diberal, Dmbeb, DMBB, 5-(1,3-Dimethylbutyl)-5-ethylbarbituric acid, 5-Ethyl-5-(1,3-dimethylbutyl)barbituric acid
| Molecular Formula | C12H20N2O3 |
|---|---|
| Molecular Weight | 240.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.1474 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 2964-06-9 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C(C)CC(C)C |
| InChIKey | KXHLANWWTKSOMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(1,3-二甲基丁基)-5-乙基巴比妥酸 (CAS 2964-06-9), with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol. IUPAC: 5-ethyl-5-(4-methylpentan-2-yl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(1,3-二甲基丁基)-5-乙基巴比妥酸
Property Insights of 5-(1,3-二甲基丁基)-5-乙基巴比妥酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-二甲基丁基)-5-乙基巴比妥酸. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-二甲基丁基)-5-乙基巴比妥酸. Following Lipinski's Rule of Five, 5-(1,3-二甲基丁基)-5-乙基巴比妥酸 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 5-(1,3-二甲基丁基)-5-乙基巴比妥酸?
The CAS number of 5-(1,3-二甲基丁基)-5-乙基巴比妥酸 is 2964-06-9.
What is the molecular formula of 5-(1,3-二甲基丁基)-5-乙基巴比妥酸?
The molecular formula of 5-(1,3-二甲基丁基)-5-乙基巴比妥酸 is C12H20N2O3.
What is the molecular weight of 5-(1,3-二甲基丁基)-5-乙基巴比妥酸?
The molecular weight of 5-(1,3-二甲基丁基)-5-乙基巴比妥酸 is 240.15 g/mol.
Where can I buy 5-(1,3-二甲基丁基)-5-乙基巴比妥酸?
You can request a quote for 5-(1,3-二甲基丁基)-5-乙基巴比妥酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-二甲基丁基)-5-乙基巴比妥酸?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-二甲基丁基)-5-乙基巴比妥酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.