3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride (CAS 1640-69-3) is a chemical compound with molecular formula C18H24Cl2N2O and molecular weight 354.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(E)-3-(4-chlorophenyl)prop-2-enyl]-8-aza-3-azoniabicyclo[3.2.1]octan-8-yl]propan-1-one chloride
Also Known As: 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride, 3-(3-(p-Chlorophenyl)allyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane hydrochloride, 3,8-Diazabicyclo[3.2.1]octane, 3-(p-chlorocinnamyl)-8-propionyl-, monohydrochloride, 1-[3-[(E)-3-(4-chlorophenyl)prop-2-enyl]-8-aza-3-azoniabicyclo[3.2.1]octan-8-yl]propan-1-one chloride, RefChem:1066184
| Molecular Formula | C18H24Cl2N2O |
|---|---|
| Molecular Weight | 354.13 g/mol |
| LogP | -0.9747 |
| Topological Polar Surface Area | 24.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.12656 |
| Heavy Atoms | 23 |
| Complexity | 544.64496 |
Chemical Identifiers
| CAS Number | 1640-69-3 |
|---|---|
| SMILES | CCC(=O)N1C2CCC1C[NH+](C2)C/C=C/C3=CC=C(C=C3)Cl.[Cl-] |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride (CAS 1640-69-3), with molecular formula C18H24Cl2N2O and molecular weight 354.13 g/mol. IUPAC: 1-[3-[(E)-3-(4-chlorophenyl)prop-2-enyl]-8-aza-3-azoniabicyclo[3.2.1]octan-8-yl]propan-1-one chloride.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride
The XLogP value of -0.9747 indicates that 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.75 Ų, 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride has 1 hydrogen bond donor(s) and 1 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 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride is 1640-69-3.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride is C18H24Cl2N2O.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride is 354.13 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(p-chlorophenyl)allyl)-8-propionyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.