Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester (CAS 1532-12-3) is a chemical compound with molecular formula C21H31NO5 and molecular weight 377.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-piperidin-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate
Also Known As: 3,4,5-Trimethoxybenzoic acid 4-piperidinocyclohexyl ester, BENZOIC ACID, 3,4,5-TRIMETHOXY-, 4-PIPERIDINOCYCLOHEXYL ESTER, Cyclohexanol, 4-piperidino-, 3,4,5-trimethoxybenzoate, (4-piperidin-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate, 4-Piperidinocyclohexyl=3,4,5-trimethoxybenzoate
| Molecular Formula | C21H31NO5 |
|---|---|
| Molecular Weight | 377.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.2202 |
| Heavy Atoms | 27 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 1532-12-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCC(CC2)N3CCCCC3 |
| InChIKey | UNYOEMGZKJSZNF-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester (CAS 1532-12-3), with molecular formula C21H31NO5 and molecular weight 377.22 g/mol. IUPAC: (4-piperidin-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester
The XLogP value of 3.9 indicates that Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester 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 has 0 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?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester is 1532-12-3.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester is C21H31NO5.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester is 377.22 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester 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?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.