TA 42
TL;DR: TA 42 (CAS 102945-47-1) is a chemical compound with molecular formula C22H34BrNO3 and molecular weight 439.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-cyclohexyloxyethyl)-4-phenylpiperidin-1-ium-4-carboxylate bromide
Also Known As: TA 42, 1-(2-(Cyclohexyloxy)ethyl)-4-phenylisonipecotic acid ethyl ester hydrobromide, Isonipecotic acid, 1-(2-(cyclohexyloxy)ethyl)-4-phenyl-, ethyl ester, hydrobromide, Ethyl 1-(2-cyclohexyloxyethyl)-4-phenylpiperidin-1-ium-4-carboxylatebromide, 1-[2-(cyclohexyloxy)ethyl]-4-(ethoxycarbonyl)-4-phenylpiperidinium bromide
| Molecular Formula | C22H34BrNO3 |
|---|---|
| Molecular Weight | 439.17 g/mol |
| LogP | -0.48 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.1722 |
| Heavy Atoms | 27 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 102945-47-1 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCOC2CCCCC2)C3=CC=CC=C3.[Br-] |
| InChIKey | LNVBJSRWKZIZAE-UHFFFAOYSA-N |
Product Overview
TA 42 (CAS 102945-47-1), with molecular formula C22H34BrNO3 and molecular weight 439.17 g/mol. IUPAC: ethyl 1-(2-cyclohexyloxyethyl)-4-phenylpiperidin-1-ium-4-carboxylate bromide.
Chemical Property Profile of TA 42
Property Insights of TA 42
The XLogP value of -0.48 indicates that TA 42 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, TA 42 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TA 42 has 1 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 TA 42?
The CAS number of TA 42 is 102945-47-1.
What is the molecular formula of TA 42?
The molecular formula of TA 42 is C22H34BrNO3.
What is the molecular weight of TA 42?
The molecular weight of TA 42 is 439.17 g/mol.
Where can I buy TA 42?
You can request a quote for TA 42 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TA 42?
Yes, KEHONG BIO provides custom synthesis services for TA 42 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.