3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl- (CAS 63990-65-8) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyridin-4-ylmethanone
Also Known As: 2,4-Di-2-amylphenoxyacetyl chloride, 8-Isonicotinoyl-3-methyl-3,8-diazabicyclo(3.2.1)octane, 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl-, 8-ISONICOTINOYL-3-METHYL-3,8-DIAZABICYCLO[3.2.1]OCTANE, (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyridin-4-ylmethanone
| Molecular Formula | C13H17N3O |
|---|---|
| Molecular Weight | 231.14 g/mol |
| LogP | 1.0002 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.13716 |
| Heavy Atoms | 17 |
| Complexity | 405.93256 |
Chemical Identifiers
| CAS Number | 63990-65-8 |
|---|---|
| SMILES | CN1CC2CCC(C1)N2C(=O)C3=CC=NC=C3 |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl- (CAS 63990-65-8), with molecular formula C13H17N3O and molecular weight 231.14 g/mol. IUPAC: (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyridin-4-ylmethanone.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl-
The XLogP value of 1.0002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl-. With a topological polar surface area (TPSA) of 36.44 Ų, 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl- has 0 hydrogen bond donor(s) and 3 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, 8-isonicotinoyl-3-methyl-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl- is 63990-65-8.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl- is C13H17N3O.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl- is 231.14 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl- 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, 8-isonicotinoyl-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 8-isonicotinoyl-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.