Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride
TL;DR: Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride (CAS 42740-24-9) is a chemical compound with molecular formula C22H29ClN2OS and molecular weight 404.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-(4-methylphenyl)-3-piperidin-1-ylpropyl]phenyl]carbamothioic S-acid;hydrochloride
Also Known As: Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride, Carbamothioic acid, phenyl-, O-(1-(4-methylphenyl)-3-(1-piperidinyl)propyl) ester, monohydrochloride, [2-[1-(4-methylphenyl)-3-piperidin-1-ylpropyl]phenyl]carbamothioic S-acid hydrochloride, {2-[1-(4-Methylphenyl)-3-(piperidin-1-yl)propyl]phenyl}carbonimidothioic acid--hydrogen chloride (1/1), RefChem:332903
| Molecular Formula | C22H29ClN2OS |
|---|---|
| Molecular Weight | 404.17 g/mol |
| LogP | 5.88642 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.1689 |
| Heavy Atoms | 27 |
| Complexity | 729.3476 |
Chemical Identifiers
| CAS Number | 42740-24-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CCN2CCCCC2)C3=CC=CC=C3NC(=O)S.Cl |
Product Overview
Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride (CAS 42740-24-9), with molecular formula C22H29ClN2OS and molecular weight 404.17 g/mol. IUPAC: [2-[1-(4-methylphenyl)-3-piperidin-1-ylpropyl]phenyl]carbamothioic S-acid;hydrochloride.
Chemical Property Profile of Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride
Property Insights of Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride
The XLogP value of 5.88642 indicates that Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride?
The CAS number of Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride is 42740-24-9.
What is the molecular formula of Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride?
The molecular formula of Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride is C22H29ClN2OS.
What is the molecular weight of Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride?
The molecular weight of Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride is 404.17 g/mol.
Where can I buy Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride?
You can request a quote for Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, thio-, O-(3-piperidino-1-p-tolylpropyl) ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.