Benzoylnorecgonine
TL;DR: Benzoylnorecgonine (CAS 41889-45-6) is a chemical compound with molecular formula C15H17NO4 and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3S,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Also Known As: Benzoylnorecgonine, norbenzoylecgonine, O-Benzoylnorecgonine, (-)-Benzoylnorecgonine, O-Benzoyl-nor-ecgonin
| Molecular Formula | C15H17NO4 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.11575 |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 41889-45-6 |
|---|---|
| SMILES | C1C[C@@H]2[C@H]([C@H](C[C@H]1N2)OC(=O)C3=CC=CC=C3)C(=O)O |
| InChIKey | CMYJDRSCSOXYHG-QNWHQSFQSA-N |
Product Overview
Benzoylnorecgonine (CAS 41889-45-6), with molecular formula C15H17NO4 and molecular weight 275.12 g/mol. IUPAC: (1R,2R,3S,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylic acid.
Chemical Property Profile of Benzoylnorecgonine
Property Insights of Benzoylnorecgonine
The XLogP value of -0.8 indicates that Benzoylnorecgonine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoylnorecgonine. Following Lipinski's Rule of Five, Benzoylnorecgonine has 2 hydrogen bond donor(s) and 5 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 Benzoylnorecgonine?
The CAS number of Benzoylnorecgonine is 41889-45-6.
What is the molecular formula of Benzoylnorecgonine?
The molecular formula of Benzoylnorecgonine is C15H17NO4.
What is the molecular weight of Benzoylnorecgonine?
The molecular weight of Benzoylnorecgonine is 275.12 g/mol.
Where can I buy Benzoylnorecgonine?
You can request a quote for Benzoylnorecgonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylnorecgonine?
Yes, KEHONG BIO provides custom synthesis services for Benzoylnorecgonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.