甲溴东莨菪碱
TL;DR: 甲溴东莨菪碱 (CAS 13265-10-6) is a chemical compound with molecular formula C18H24NO4+ and molecular weight 318.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲溴东莨菪碱
(9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate
Also Known As: methscopolamine, Pamine, Methylscopolamine, Metylskopolamin, Proscomide
| Molecular Formula | C18H24NO4+ |
|---|---|
| Molecular Weight | 318.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.17053 |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 13265-10-6 |
|---|---|
| SMILES | C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C |
| InChIKey | LZCOQTDXKCNBEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲溴东莨菪碱 (CAS 13265-10-6), with molecular formula C18H24NO4+ and molecular weight 318.17 g/mol. IUPAC: (9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of 甲溴东莨菪碱
Property Insights of 甲溴东莨菪碱
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲溴东莨菪碱. With a topological polar surface area (TPSA) of 59.1 Ų, 甲溴东莨菪碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴甲胺太林 has 1 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 溴甲胺太林?
The CAS number of 溴甲胺太林 is 13265-10-6.
What is the molecular formula of 溴甲胺太林?
The molecular formula of 溴甲胺太林 is C18H24NO4+.
What is the molecular weight of 溴甲胺太林?
The molecular weight of 溴甲胺太林 is 318.17 g/mol.
Where can I buy 溴甲胺太林?
You can request a quote for 溴甲胺太林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴甲胺太林?
Yes, KEHONG BIO provides custom synthesis services for 溴甲胺太林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.