溴丙胺太林
TL;DR: 溴丙胺太林 (CAS 50-34-0) is a chemical compound with molecular formula C23H30BrNO3 and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴丙胺太林
methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide
Also Known As: PROPANTHELINE BROMIDE, Pro-Banthine, Neometantyl, Neopepulsan, Pantheline
| Molecular Formula | C23H30BrNO3 |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 1.73 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.1409 |
| Heavy Atoms | 28 |
| Complexity | 474.0 |
| Melting Point | 318 to 161.1 °C |
| Solubility | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 50-34-0 |
|---|---|
| SMILES | CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C.[Br-] |
| InChIKey | XLBIBBZXLMYSFF-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴丙胺太林 (CAS 50-34-0), with molecular formula C23H30BrNO3 and molecular weight 447.14 g/mol. IUPAC: methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide.
Chemical Property Profile of 溴丙胺太林
Property Insights of 溴丙胺太林
The XLogP value of 1.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴丙胺太林. With a topological polar surface area (TPSA) of 35.5 Ų, 溴丙胺太林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴丙胺太林 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 溴丙胺太林?
The CAS number of 溴丙胺太林 is 50-34-0.
What is the molecular formula of 溴丙胺太林?
The molecular formula of 溴丙胺太林 is C23H30BrNO3.
What is the molecular weight of 溴丙胺太林?
The molecular weight of 溴丙胺太林 is 447.14 g/mol.
Where can I buy 溴丙胺太林?
You can request a quote for 溴丙胺太林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴丙胺太林?
Yes, KEHONG BIO provides custom synthesis services for 溴丙胺太林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.