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Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
TL;DR: Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate (CAS 67196-21-8) is a chemical compound with molecular formula C9H16N2O2 and molecular weight 184.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
Also Known As: methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate, 5-23-03-00463 (Beilstein Handbook Reference), 3-Methyl-3,8-diazabicyclo(3.2.1)octane-8-carboxylic acid, methyl ester, 3,8-DIAZABICYCLO(3.2.1)OCTANE-8-CARBOXYLIC ACID, 3-METHYL-, METHYL ESTER, 3-Methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylicacidmethylester
| Molecular Formula | C9H16N2O2 |
|---|---|
| Molecular Weight | 184.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.12119 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 67196-21-8 |
|---|---|
| SMILES | CN1CC2CCC(C1)N2C(=O)OC |
| InChIKey | FEZVKEOPBBKYEP-UHFFFAOYSA-N |
Product Overview
Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate (CAS 67196-21-8), with molecular formula C9H16N2O2 and molecular weight 184.12 g/mol. IUPAC: methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate.
Chemical Property Profile of Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
Property Insights of Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate. With a topological polar surface area (TPSA) of 32.8 Ų, Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate 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 Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The CAS number of Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate is 67196-21-8.
What is the molecular formula of Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The molecular formula of Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate is C9H16N2O2.
What is the molecular weight of Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The molecular weight of Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate is 184.12 g/mol.
Where can I buy Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
You can request a quote for Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.