![5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid structure](/static/products/6705/67051-07-4.webp)
5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid
TL;DR: 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid (CAS 67051-07-4) is a chemical compound with molecular formula C11H18N2O3S and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(ethylsulfanylmethyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid, 5-(ethylsulfanylmethyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione, 5-[(Ethylsulfanyl)methyl]-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C11H18N2O3S |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.10382 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 67051-07-4 |
|---|---|
| SMILES | CCSCC1(C(=O)NC(=O)NC1=O)CC(C)C |
| InChIKey | ZKYPYMAGULMPKU-UHFFFAOYSA-N |
Product Overview
5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid (CAS 67051-07-4), with molecular formula C11H18N2O3S and molecular weight 258.10 g/mol. IUPAC: 5-(ethylsulfanylmethyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid
Property Insights of 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid. Following Lipinski's Rule of Five, 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid has 2 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 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid?
The CAS number of 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid is 67051-07-4.
What is the molecular formula of 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid?
The molecular formula of 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid is C11H18N2O3S.
What is the molecular weight of 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid?
The molecular weight of 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid is 258.10 g/mol.
Where can I buy 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid?
You can request a quote for 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.