3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl-
TL;DR: 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl- (CAS 49832-52-2) is a chemical compound with molecular formula C18H30N2 and molecular weight 274.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8,8-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane
Also Known As: trans-4,5-didehydro-neral, 3-(4-(1-Pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane, 3-AZABICYCLO(3.2.1)OCTANE, 3-(4-(1-PYRROLIDINYL)-2-BUTYNYL)-1,8,8-TRIMETHYL-, 3-[4-2-butynyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane, 5,8,8-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane
| Molecular Formula | C18H30N2 |
|---|---|
| Molecular Weight | 274.24 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.2409 |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 49832-52-2 |
|---|---|
| SMILES | CC1(C2CCC1(CN(C2)CC#CCN3CCCC3)C)C |
| InChIKey | LVIOMMMBZFTDBV-UHFFFAOYSA-N |
Product Overview
3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl- (CAS 49832-52-2), with molecular formula C18H30N2 and molecular weight 274.24 g/mol. IUPAC: 1,8,8-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane.
Chemical Property Profile of 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl-
Property Insights of 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl-
The XLogP value of 3.2 indicates that 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl- has 0 hydrogen bond donor(s) and 2 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-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl-?
The CAS number of 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl- is 49832-52-2.
What is the molecular formula of 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl-?
The molecular formula of 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl- is C18H30N2.
What is the molecular weight of 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl-?
The molecular weight of 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl- is 274.24 g/mol.
Where can I buy 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl-?
You can request a quote for 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Azabicyclo(3.2.1)octane, 3-(4-(1-pyrrolidinyl)-2-butynyl)-1,8,8-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.