Penthienate Bromide
TL;DR: Penthienate Bromide (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.
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
Penthienate Bromide (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 Penthienate Bromide
Property Insights of Penthienate Bromide
The XLogP value of 0.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Penthienate Bromide. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Penthienate Bromide. Following Lipinski's Rule of Five, Penthienate Bromide 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 Penthienate Bromide?
The CAS number of Penthienate Bromide is 60-44-6.
What is the molecular formula of Penthienate Bromide?
The molecular formula of Penthienate Bromide is C18H30BrNO3S.
What is the molecular weight of Penthienate Bromide?
The molecular weight of Penthienate Bromide is 419.11 g/mol.
Where can I buy Penthienate Bromide?
You can request a quote for Penthienate Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penthienate Bromide?
Yes, KEHONG BIO provides custom synthesis services for Penthienate Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.