3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2)
TL;DR: 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2) (CAS 100311-15-7) is a chemical compound with molecular formula C18H30Cl2N2O3 and molecular weight 392.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxyphenyl]azanium dichloride
Also Known As: 4-Amino-2-propoxybenzoic acid 3-piperidinopropyl ester dihydrochloride, BENZOIC ACID, 4-AMINO-2-PROPOXY-, 3-PIPERIDINOPROPYL ESTER, DIHYDROCHLORIDE, [4-(3-Piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxyphenyl]azaniumdichloride, [4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxyphenyl]azanium, 1-{3-[(4-ammonio-2-propoxybenzoyl)oxy]propyl}piperidinium dichloride
| Molecular Formula | C18H30Cl2N2O3 |
|---|---|
| Molecular Weight | 392.16 g/mol |
| LogP | -5.03 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 392.16336 |
| Heavy Atoms | 25 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 100311-15-7 |
|---|---|
| SMILES | CCCOC1=C(C=CC(=C1)[NH3+])C(=O)OCCC[NH+]2CCCCC2.[Cl-].[Cl-] |
| InChIKey | FONMKNLITDGQCR-UHFFFAOYSA-N |
Product Overview
3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2) (CAS 100311-15-7), with molecular formula C18H30Cl2N2O3 and molecular weight 392.16 g/mol. IUPAC: [4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxyphenyl]azanium dichloride.
Chemical Property Profile of 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2)
Property Insights of 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2)
The XLogP value of -5.03 indicates that 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2). Following Lipinski's Rule of Five, 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2) has 2 hydrogen bond donor(s) and 5 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 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2)?
The CAS number of 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2) is 100311-15-7.
What is the molecular formula of 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2)?
The molecular formula of 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2) is C18H30Cl2N2O3.
What is the molecular weight of 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2)?
The molecular weight of 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2) is 392.16 g/mol.
Where can I buy 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2)?
You can request a quote for 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.