喷噻溴铵
TL;DR: 喷噻溴铵 (CAS 60-44-6) is a chemical compound with molecular formula C18H30BrNO3S and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
喷噻溴铵
2-(2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetyl)oxyethyl-diethyl-methylazanium bromide
Also Known As: Monodral bromide, Penthienate, PENTHIENATE BROMIDE, Monodral, Penthienate bromide [NF]
| Molecular Formula | C18H30BrNO3S |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 0.16 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.11298 |
| Heavy Atoms | 24 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 60-44-6 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1CCCC1)(C2=CC=CS2)O.[Br-] |
| InChIKey | VWGJUXTWIWCQGL-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
喷噻溴铵 (CAS 60-44-6), with molecular formula C18H30BrNO3S and molecular weight 419.11 g/mol. IUPAC: 2-(2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetyl)oxyethyl-diethyl-methylazanium bromide.
Chemical Property Profile of 喷噻溴铵
Property Insights of 喷噻溴铵
The XLogP value of 0.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 喷噻溴铵. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 喷噻溴铵. Following Lipinski's Rule of Five, 喷噻溴铵 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 喷噻溴铵?
The CAS number of 喷噻溴铵 is 60-44-6.
What is the molecular formula of 喷噻溴铵?
The molecular formula of 喷噻溴铵 is C18H30BrNO3S.
What is the molecular weight of 喷噻溴铵?
The molecular weight of 喷噻溴铵 is 419.11 g/mol.
Where can I buy 喷噻溴铵?
You can request a quote for 喷噻溴铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 喷噻溴铵?
Yes, KEHONG BIO provides custom synthesis services for 喷噻溴铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.