Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio-
TL;DR: Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio- (CAS 35242-58-1) is a chemical compound with molecular formula C10H14N2O3S and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxypropyl)-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-Allyl-5-(2-hydroxypropyl)-2-thiobarbituric acid, 5-Allyl-5-(beta-hydroxypropyl)-2-thiobarbituric acid, 5-25-03-00296 (Beilstein Handbook Reference), BARBITURIC ACID, 5-ALLYL-5-(2-HYDROXYPROPYL)-2-THIO-, 4,6-Dihydroxy-5-(2-hydroxypropyl)-5-(prop-2-en-1-yl)pyrimidine-2(5H)-thione
| Molecular Formula | C10H14N2O3S |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | -0.1493 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.07251 |
| Heavy Atoms | 16 |
| Complexity | 331.9733 |
Chemical Identifiers
| CAS Number | 35242-58-1 |
|---|---|
| SMILES | CC(CC1(C(=O)NC(=S)NC1=O)CC=C)O |
Product Overview
Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio- (CAS 35242-58-1), with molecular formula C10H14N2O3S and molecular weight 242.07 g/mol. IUPAC: 5-(2-hydroxypropyl)-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio-
Property Insights of Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio-
The XLogP value of -0.1493 indicates that Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio-. Following Lipinski's Rule of Five, Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio- 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-allyl-5-(2-hydroxypropyl)-2-thio-?
The CAS number of Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio- is 35242-58-1.
What is the molecular formula of Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio-?
The molecular formula of Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio- is C10H14N2O3S.
What is the molecular weight of Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio-?
The molecular weight of Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio- is 242.07 g/mol.
Where can I buy Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio-?
You can request a quote for Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio- 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-allyl-5-(2-hydroxypropyl)-2-thio-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.