Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride (CAS 75231-03-7) is a chemical compound with molecular formula C16H24ClN3O5 and molecular weight 373.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-carbamimidoylpiperidin-1-ium-3-yl) 3,4,5-trimethoxybenzoate chloride
Also Known As: 3,4,5-Trimethoxybenzoic acid 1-amidino-3-piperidyl ester monohydrochloride, BENZOIC ACID, 3,4,5-TRIMETHOXY-, 1-AMIDINO-3-PIPERIDYL ESTER, MONOHYDROCHLORIDE, (1-carbamimidoylpiperidin-1-ium-3-yl) 3,4,5-trimethoxybenzoate chloride, (1-Carbamimidoylpiperidin-1-ium-3-yl)3,4,5-trimethoxybenzoate chloride, RefChem:1079003
| Molecular Formula | C16H24ClN3O5 |
|---|---|
| Molecular Weight | 373.14 g/mol |
| LogP | -3.19 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.14044 |
| Heavy Atoms | 25 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 75231-03-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCC[NH+](C2)C(=N)N.[Cl-] |
| InChIKey | KFUOGBOPVYNZMD-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride (CAS 75231-03-7), with molecular formula C16H24ClN3O5 and molecular weight 373.14 g/mol. IUPAC: (1-carbamimidoylpiperidin-1-ium-3-yl) 3,4,5-trimethoxybenzoate chloride.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride
The XLogP value of -3.19 indicates that Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride has 3 hydrogen bond donor(s) and 7 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-, 1-amidino-3-piperidyl ester, monohydrochloride?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride is 75231-03-7.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride is C16H24ClN3O5.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride is 373.14 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride 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-, 1-amidino-3-piperidyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 1-amidino-3-piperidyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.