Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride (CAS 1532-13-4) is a chemical compound with molecular formula C21H32ClNO5 and molecular weight 413.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride
Also Known As: 3,4,5-Trimethoxybenzoic acid 4-piperidinocyclohexyl ester hydrochloride, BENZOIC ACID, 3,4,5-TRIMETHOXY-, 4-PIPERIDINOCYCLOHEXYL ESTER, HYDROCHLORIDE, (4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride, Estere 3,4,5-trimetossibenzoico del 4-piperidino-cicloesanolo clorohydrato [Spanish], Estere 3,4,5-trimetossibenzoico del 4-piperidino-cicloesanolo clorohydrato
| Molecular Formula | C21H32ClNO5 |
|---|---|
| Molecular Weight | 413.20 g/mol |
| LogP | -0.75 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.1969 |
| Heavy Atoms | 28 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 1532-13-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCC(CC2)[NH+]3CCCCC3.[Cl-] |
| InChIKey | LQGUJXQJPIVGRM-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride (CAS 1532-13-4), with molecular formula C21H32ClNO5 and molecular weight 413.20 g/mol. IUPAC: (4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride
The XLogP value of -0.75 indicates that Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride has 1 hydrogen bond donor(s) and 6 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 Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride is 1532-13-4.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride is C21H32ClNO5.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride is 413.20 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.