3'-Hydroxycocaine
TL;DR: 3'-Hydroxycocaine (CAS 74185-95-8) is a chemical compound with molecular formula C17H21NO5 and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R)-3-(3-hydroxybenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: 3'-Hydroxycocaine, 3'-Hydroxybenzoylecgonine methyl ester, methyl(1r)-3-[(3-hydroxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate, Methyl 3-[(3-hydroxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate, methyl (1R)-3-(3-hydroxybenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
| Molecular Formula | C17H21NO5 |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.14197 |
| Heavy Atoms | 23 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 74185-95-8 |
|---|---|
| SMILES | CN1[C@@H]2CCC1CC(C2C(=O)OC)OC(=O)C3=CC(=CC=C3)O |
| InChIKey | IQXBUEUAOWARGT-QZMFJGEPSA-N |
Product Overview
3'-Hydroxycocaine (CAS 74185-95-8), with molecular formula C17H21NO5 and molecular weight 319.14 g/mol. IUPAC: methyl (1R)-3-(3-hydroxybenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of 3'-Hydroxycocaine
Property Insights of 3'-Hydroxycocaine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Hydroxycocaine. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Hydroxycocaine. Following Lipinski's Rule of Five, 3'-Hydroxycocaine has 1 hydrogen bond donor(s) and 6 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'-Hydroxycocaine?
The CAS number of 3'-Hydroxycocaine is 74185-95-8.
What is the molecular formula of 3'-Hydroxycocaine?
The molecular formula of 3'-Hydroxycocaine is C17H21NO5.
What is the molecular weight of 3'-Hydroxycocaine?
The molecular weight of 3'-Hydroxycocaine is 319.14 g/mol.
Where can I buy 3'-Hydroxycocaine?
You can request a quote for 3'-Hydroxycocaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Hydroxycocaine?
Yes, KEHONG BIO provides custom synthesis services for 3'-Hydroxycocaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.