碘化丙胺太林
TL;DR: 碘化丙胺太林 (CAS 76726-94-8) is a chemical compound with molecular formula C23H30INO3 and molecular weight 495.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘化丙胺太林
methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium iodide
Also Known As: Propantheline iodide, 2-Propanaminium, N-methyl-N-(1-methylethyl)-N-(2-((9H-Xanthen-9-ylcarbonyl)oxy)ethyl)-, iodide, methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium iodide, N-Methyl-N-(propan-2-yl)-N-{2-[(9H-xanthene-9-carbonyl)oxy]ethyl}propan-2-aminium iodide
| Molecular Formula | C23H30INO3 |
|---|---|
| Molecular Weight | 495.13 g/mol |
| LogP | 1.7348 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.12704 |
| Heavy Atoms | 28 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 76726-94-8 |
|---|---|
| SMILES | CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C.[I-] |
| InChIKey | MXBWKMYNRVKRPQ-UHFFFAOYSA-M |
Product Overview
碘化丙胺太林 (CAS 76726-94-8), with molecular formula C23H30INO3 and molecular weight 495.13 g/mol. IUPAC: methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium iodide.
Chemical Property Profile of 碘化丙胺太林
Property Insights of 碘化丙胺太林
The XLogP value of 1.7348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 碘化丙胺太林. With a topological polar surface area (TPSA) of 35.5 Ų, 碘化丙胺太林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碘化丙胺太林 has 0 hydrogen bond donor(s) and 4 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 碘化丙胺太林?
The CAS number of 碘化丙胺太林 is 76726-94-8.
What is the molecular formula of 碘化丙胺太林?
The molecular formula of 碘化丙胺太林 is C23H30INO3.
What is the molecular weight of 碘化丙胺太林?
The molecular weight of 碘化丙胺太林 is 495.13 g/mol.
Where can I buy 碘化丙胺太林?
You can request a quote for 碘化丙胺太林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘化丙胺太林?
Yes, KEHONG BIO provides custom synthesis services for 碘化丙胺太林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.