Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester
TL;DR: Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester (CAS 124420-34-4) is a chemical compound with molecular formula C15H15Cl2N3OS and molecular weight 355.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-(3,6-dichloropyridazin-4-yl)-2-methylpropyl]phenyl]carbamothioic S-acid
Also Known As: Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester, [[2-[2-(3,6-dichloropyridazin-4-yl)-2-methyl-propyl]phenyl]amino]methanethioic Acid, [2-[2-(3,6-dichloropyridazin-4-yl)-2-methylpropyl]phenyl]carbamothioic S-acid, {2-[2-(3,6-dichloropyridazin-4-yl)-2-methylpropyl]phenyl}carbamothioic S-acid
| Molecular Formula | C15H15Cl2N3OS |
|---|---|
| Molecular Weight | 355.03 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.03128 |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 124420-34-4 |
|---|---|
| SMILES | CC(C)(CC1=CC=CC=C1NC(=O)S)C2=CC(=NN=C2Cl)Cl |
| InChIKey | QQSJAQSSNQYCKO-UHFFFAOYSA-N |
Product Overview
Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester (CAS 124420-34-4), with molecular formula C15H15Cl2N3OS and molecular weight 355.03 g/mol. IUPAC: [2-[2-(3,6-dichloropyridazin-4-yl)-2-methylpropyl]phenyl]carbamothioic S-acid.
Chemical Property Profile of Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester
Property Insights of Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester
The XLogP value of 4.6 indicates that Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.9 Ų, Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester 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 Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester?
The CAS number of Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester is 124420-34-4.
What is the molecular formula of Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester?
The molecular formula of Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester is C15H15Cl2N3OS.
What is the molecular weight of Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester?
The molecular weight of Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester is 355.03 g/mol.
Where can I buy Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester?
You can request a quote for Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, phenyl-, O-(2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.