3-Iodo-4-azidococaine
TL;DR: 3-Iodo-4-azidococaine (CAS 140430-72-4) is a chemical compound with molecular formula C17H19IN4O4 and molecular weight 470.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R)-3-(4-azido-3-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: IACoc, 3-Iodo-4-azidococaine, methyl (1R)-3-(4-azido-3-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate, methyl (5R)-3-(4-azido-3-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate, Methyl 3-[(4-azido-3-iodobenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
| Molecular Formula | C17H19IN4O4 |
|---|---|
| Molecular Weight | 470.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.0451 |
| Heavy Atoms | 26 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 140430-72-4 |
|---|---|
| SMILES | CN1[C@@H]2CCC1CC(C2C(=O)OC)OC(=O)C3=CC(=C(C=C3)N=[N+]=[N-])I |
| InChIKey | YNKNBBUFOGRTPI-QHLGEMKESA-N |
Product Overview
3-Iodo-4-azidococaine (CAS 140430-72-4), with molecular formula C17H19IN4O4 and molecular weight 470.05 g/mol. IUPAC: methyl (1R)-3-(4-azido-3-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of 3-Iodo-4-azidococaine
Property Insights of 3-Iodo-4-azidococaine
The XLogP value of 3.9 indicates that 3-Iodo-4-azidococaine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Iodo-4-azidococaine. Following Lipinski's Rule of Five, 3-Iodo-4-azidococaine has 0 hydrogen bond donor(s) and 7 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-Iodo-4-azidococaine?
The CAS number of 3-Iodo-4-azidococaine is 140430-72-4.
What is the molecular formula of 3-Iodo-4-azidococaine?
The molecular formula of 3-Iodo-4-azidococaine is C17H19IN4O4.
What is the molecular weight of 3-Iodo-4-azidococaine?
The molecular weight of 3-Iodo-4-azidococaine is 470.05 g/mol.
Where can I buy 3-Iodo-4-azidococaine?
You can request a quote for 3-Iodo-4-azidococaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodo-4-azidococaine?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodo-4-azidococaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.