Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride
TL;DR: Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride (CAS 1907-86-4) is a chemical compound with molecular formula C14H22ClN3O3 and molecular weight 315.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[4-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)but-2-ynyl]azanium chloride
Also Known As: 5-Ethyl-5-(4-diethylamino-2-butynyl)barbituric acid hydrochloride, 5-(4-(Diethylamino)-2-butynyl)-5-ethylbarbituric acid hydrochloride, BARBITURIC ACID, 5-(4-(DIETHYLAMINO)-2-BUTYNYL)-5-ETHYL-, HYDROCHLORIDE, diethyl-[4-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)but-2-ynyl]azanium chloride, RefChem:320697
| Molecular Formula | C14H22ClN3O3 |
|---|---|
| Molecular Weight | 315.13 g/mol |
| LogP | -3.93 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.13498 |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 1907-86-4 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)CC#CC[NH+](CC)CC.[Cl-] |
| InChIKey | XVOZTRVNPANHRB-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride (CAS 1907-86-4), with molecular formula C14H22ClN3O3 and molecular weight 315.13 g/mol. IUPAC: diethyl-[4-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)but-2-ynyl]azanium chloride.
Chemical Property Profile of Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride
Property Insights of Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride
The XLogP value of -3.93 indicates that Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride. Following Lipinski's Rule of Five, Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride has 3 hydrogen bond donor(s) and 4 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 Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride?
The CAS number of Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride is 1907-86-4.
What is the molecular formula of Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride?
The molecular formula of Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride is C14H22ClN3O3.
What is the molecular weight of Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride?
The molecular weight of Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride is 315.13 g/mol.
Where can I buy Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride?
You can request a quote for Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.