3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl- (CAS 63990-44-3) is a chemical compound with molecular formula C11H20N2O2 and molecular weight 212.15 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)methyl propanoate
Also Known As: KST-1A7156, 3-Methyl-8-propionyloxymethyl-3,8-diazabicyclo(3.2.1)octane, 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl-, (3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)methyl propionate, 3-Methyl-3,8-diazabicyclo[3.2.1]octane-8-methanol propionate
| Molecular Formula | C11H20N2O2 |
|---|---|
| Molecular Weight | 212.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.15248 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 63990-44-3 |
|---|---|
| SMILES | CCC(=O)OCN1C2CCC1CN(C2)C |
| InChIKey | KLCAYWXSRJHEOT-UHFFFAOYSA-N |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl- (CAS 63990-44-3), with molecular formula C11H20N2O2 and molecular weight 212.15 g/mol. IUPAC: (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl propanoate.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl-. With a topological polar surface area (TPSA) of 32.8 Ų, 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl- has 0 hydrogen bond donor(s) and 4 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-methyl-8-propionyloxymethyl-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl- is 63990-44-3.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl- is C11H20N2O2.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl- is 212.15 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl- 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-methyl-8-propionyloxymethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 3-methyl-8-propionyloxymethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.