Dihydroanhydroecgonin
TL;DR: Dihydroanhydroecgonin (CAS 34159-68-7) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Also Known As: Dihydroanhydroecgonin, 2.beta.-Tropanecarboxylic acid, diethyl 2,2-diethoxyvinylphosphonate, 8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid, (1R,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 34159-68-7 |
|---|---|
| SMILES | CN1C2CCC(C1CC2)C(=O)O |
| InChIKey | TXSARNVUDNBDKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihydroanhydroecgonin (CAS 34159-68-7), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid.
Chemical Property Profile of Dihydroanhydroecgonin
Property Insights of Dihydroanhydroecgonin
The XLogP value of -1.4 indicates that Dihydroanhydroecgonin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, Dihydroanhydroecgonin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydroanhydroecgonin has 1 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 Dihydroanhydroecgonin?
The CAS number of Dihydroanhydroecgonin is 34159-68-7.
What is the molecular formula of Dihydroanhydroecgonin?
The molecular formula of Dihydroanhydroecgonin is C9H15NO2.
What is the molecular weight of Dihydroanhydroecgonin?
The molecular weight of Dihydroanhydroecgonin is 169.11 g/mol.
Where can I buy Dihydroanhydroecgonin?
You can request a quote for Dihydroanhydroecgonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroanhydroecgonin?
Yes, KEHONG BIO provides custom synthesis services for Dihydroanhydroecgonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.