8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride
TL;DR: 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride (CAS 70145-65-2) is a chemical compound with molecular formula C18H26ClN3O3 and molecular weight 367.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl 4-aminobenzoate;hydrochloride
Also Known As: 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride, 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-propionyl-, p-aminobenzoate (ester), hydrochloride, 2-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl 4-aminobenzoate hydrochloride, 2-(8-Propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl 4-aminobenzoate--hydrogen chloride (1/1), RefChem:272739
| Molecular Formula | C18H26ClN3O3 |
|---|---|
| Molecular Weight | 367.17 g/mol |
| LogP | 1.9326 |
| Topological Polar Surface Area | 75.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.16626 |
| Heavy Atoms | 25 |
| Complexity | 594.0888 |
Chemical Identifiers
| CAS Number | 70145-65-2 |
|---|---|
| SMILES | CCC(=O)N1C2CCC1CN(C2)CCOC(=O)C3=CC=C(C=C3)N.Cl |
Product Overview
8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride (CAS 70145-65-2), with molecular formula C18H26ClN3O3 and molecular weight 367.17 g/mol. IUPAC: 2-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl 4-aminobenzoate;hydrochloride.
Chemical Property Profile of 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride
Property Insights of 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride
The XLogP value of 1.9326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride. The TPSA of 75.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride. Following Lipinski's Rule of Five, 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride has 1 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 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride?
The CAS number of 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride is 70145-65-2.
What is the molecular formula of 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride?
The molecular formula of 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride is C18H26ClN3O3.
What is the molecular weight of 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride?
The molecular weight of 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride is 367.17 g/mol.
Where can I buy 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride?
You can request a quote for 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-3-ethanol p-aminobenzoate (ester) hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.