Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester
TL;DR: Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester (CAS 10506-38-4) is a chemical compound with molecular formula C16H16N2OS2 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-phenyl N-(dimethylcarbamothioyl)-N-phenylcarbamothioate
Also Known As: o-Phenyl 4,4-dimethyl-2-phenyl-1,3-dithioallophanate, J1.392.274H, O-Phenyl (dimethylcarbamothioyl)phenylcarbamothioate, 1,1-Dimethyl-3-[phenoxy(thiocarbonyl)]-3-phenylthiourea, 3,3-dimethyl-1-(phenoxymethanethioyl)-1-phenylthiourea
| Molecular Formula | C16H16N2OS2 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0704 |
| Heavy Atoms | 21 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 10506-38-4 |
|---|---|
| SMILES | CN(C)C(=S)N(C1=CC=CC=C1)C(=S)OC2=CC=CC=C2 |
| InChIKey | FKNXZLKYSGZWRV-UHFFFAOYSA-N |
Product Overview
Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester (CAS 10506-38-4), with molecular formula C16H16N2OS2 and molecular weight 316.07 g/mol. IUPAC: O-phenyl N-(dimethylcarbamothioyl)-N-phenylcarbamothioate.
Chemical Property Profile of Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester
Property Insights of Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester
The XLogP value of 4.2 indicates that Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester. Following Lipinski's Rule of Five, Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester has 0 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, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester?
The CAS number of Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester is 10506-38-4.
What is the molecular formula of Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester?
The molecular formula of Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester is C16H16N2OS2.
What is the molecular weight of Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester?
The molecular weight of Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester is 316.07 g/mol.
Where can I buy Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester?
You can request a quote for Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl 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, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.