Allophanic acid, 4-butyl-3-thio-, ethyl ester
TL;DR: Allophanic acid, 4-butyl-3-thio-, ethyl ester (CAS 6121-29-5) is a chemical compound with molecular formula C8H16N2O2S and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(butylcarbamothioyl)carbamate
Also Known As: N-Ethoxycarbonyl-N'-butylthiourea, Ethyl 4-butyl-3-thioallophanate, ethyl N-(butylcarbamothioyl)carbamate, Ethyl (butylcarbamothioyl)carbamate, 1-Butyl-3-(ethoxycarbonyl)thiourea
| Molecular Formula | C8H16N2O2S |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 1.4071 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.09325 |
| Heavy Atoms | 13 |
| Complexity | 173.52696 |
Chemical Identifiers
| CAS Number | 6121-29-5 |
|---|---|
| SMILES | CCCCNC(=S)NC(=O)OCC |
Product Overview
Allophanic acid, 4-butyl-3-thio-, ethyl ester (CAS 6121-29-5), with molecular formula C8H16N2O2S and molecular weight 204.09 g/mol. IUPAC: ethyl N-(butylcarbamothioyl)carbamate.
Chemical Property Profile of Allophanic acid, 4-butyl-3-thio-, ethyl ester
Property Insights of Allophanic acid, 4-butyl-3-thio-, ethyl ester
The XLogP value of 1.4071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allophanic acid, 4-butyl-3-thio-, ethyl ester. With a topological polar surface area (TPSA) of 50.36 Ų, Allophanic acid, 4-butyl-3-thio-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allophanic acid, 4-butyl-3-thio-, ethyl ester 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 Allophanic acid, 4-butyl-3-thio-, ethyl ester?
The CAS number of Allophanic acid, 4-butyl-3-thio-, ethyl ester is 6121-29-5.
What is the molecular formula of Allophanic acid, 4-butyl-3-thio-, ethyl ester?
The molecular formula of Allophanic acid, 4-butyl-3-thio-, ethyl ester is C8H16N2O2S.
What is the molecular weight of Allophanic acid, 4-butyl-3-thio-, ethyl ester?
The molecular weight of Allophanic acid, 4-butyl-3-thio-, ethyl ester is 204.09 g/mol.
Where can I buy Allophanic acid, 4-butyl-3-thio-, ethyl ester?
You can request a quote for Allophanic acid, 4-butyl-3-thio-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allophanic acid, 4-butyl-3-thio-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Allophanic acid, 4-butyl-3-thio-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.