4-Azidoatropine methiodide
TL;DR: 4-Azidoatropine methiodide (CAS 90991-00-7) is a chemical compound with molecular formula C18H25N4O3+ and molecular weight 345.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-azidophenyl)-3-hydroxypropanoate
Also Known As: 4-Azidoatropine methiodide, 4-Azidoatropine methyl iodide, para-Azidoatropine methiodide, (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-azidophenyl)-3-hydroxypropanoate, 8-Azoniabicyclo(3.2.1)octane, 3-(2-(4-azidophenyl)-3-hydroxy-1-oxopropoxy)-8,8-dimethyl-, endo-(+-)-
| Molecular Formula | C18H25N4O3+ |
|---|---|
| Molecular Weight | 345.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.19266 |
| Heavy Atoms | 25 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 90991-00-7 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=C(C=C3)N=[N+]=[N-])C |
| InChIKey | XOAFIYOZZAJEFK-UHFFFAOYSA-N |
Product Overview
4-Azidoatropine methiodide (CAS 90991-00-7), with molecular formula C18H25N4O3+ and molecular weight 345.19 g/mol. IUPAC: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-azidophenyl)-3-hydroxypropanoate.
Chemical Property Profile of 4-Azidoatropine methiodide
Property Insights of 4-Azidoatropine methiodide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Azidoatropine methiodide. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Azidoatropine methiodide. Following Lipinski's Rule of Five, 4-Azidoatropine methiodide has 1 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 4-Azidoatropine methiodide?
The CAS number of 4-Azidoatropine methiodide is 90991-00-7.
What is the molecular formula of 4-Azidoatropine methiodide?
The molecular formula of 4-Azidoatropine methiodide is C18H25N4O3+.
What is the molecular weight of 4-Azidoatropine methiodide?
The molecular weight of 4-Azidoatropine methiodide is 345.19 g/mol.
Where can I buy 4-Azidoatropine methiodide?
You can request a quote for 4-Azidoatropine methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Azidoatropine methiodide?
Yes, KEHONG BIO provides custom synthesis services for 4-Azidoatropine methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.