(S)-(+)-Cocaine
TL;DR: (S)-(+)-Cocaine (CAS 21206-60-0) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,2S,3R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: (+)Cocaine, d-Cocaine, (S)-(+)-Cocaine, (S)-Cocaine, (+)-Cocaine
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 21206-60-0 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1[C@@H]([C@@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC |
| InChIKey | ZPUCINDJVBIVPJ-BARDWOONSA-N |
Product Overview
(S)-(+)-Cocaine (CAS 21206-60-0), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: methyl (1S,2S,3R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of (S)-(+)-Cocaine
Property Insights of (S)-(+)-Cocaine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-(+)-Cocaine. With a topological polar surface area (TPSA) of 55.8 Ų, (S)-(+)-Cocaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-(+)-Cocaine has 0 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 (S)-(+)-Cocaine?
The CAS number of (S)-(+)-Cocaine is 21206-60-0.
What is the molecular formula of (S)-(+)-Cocaine?
The molecular formula of (S)-(+)-Cocaine is C17H21NO4.
What is the molecular weight of (S)-(+)-Cocaine?
The molecular weight of (S)-(+)-Cocaine is 303.15 g/mol.
Where can I buy (S)-(+)-Cocaine?
You can request a quote for (S)-(+)-Cocaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-(+)-Cocaine?
Yes, KEHONG BIO provides custom synthesis services for (S)-(+)-Cocaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.