Temiverine hydrochloride hydrate
TL;DR: Temiverine hydrochloride hydrate (CAS 136529-33-4) is a chemical compound with molecular formula C24H38ClNO4 and molecular weight 439.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrate;hydrochloride
Also Known As: Urespan, Urespan (TN), Temiverine hydrochloride hydrate, Temiverine hydrochloride, Temiverine hydrochloride monohydrate
| Molecular Formula | C24H38ClNO4 |
|---|---|
| Molecular Weight | 439.25 g/mol |
| LogP | 3.7186 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 439.24893 |
| Heavy Atoms | 30 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 136529-33-4 |
|---|---|
| SMILES | CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl |
| InChIKey | FERSVTRMSSXKOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Temiverine hydrochloride hydrate (CAS 136529-33-4), with molecular formula C24H38ClNO4 and molecular weight 439.25 g/mol. IUPAC: [5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrate;hydrochloride.
Chemical Property Profile of Temiverine hydrochloride hydrate
Property Insights of Temiverine hydrochloride hydrate
The XLogP value of 3.7186 indicates that Temiverine hydrochloride hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, Temiverine hydrochloride hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Temiverine hydrochloride hydrate has 3 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 Temiverine hydrochloride hydrate?
The CAS number of Temiverine hydrochloride hydrate is 136529-33-4.
What is the molecular formula of Temiverine hydrochloride hydrate?
The molecular formula of Temiverine hydrochloride hydrate is C24H38ClNO4.
What is the molecular weight of Temiverine hydrochloride hydrate?
The molecular weight of Temiverine hydrochloride hydrate is 439.25 g/mol.
Where can I buy Temiverine hydrochloride hydrate?
You can request a quote for Temiverine hydrochloride hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Temiverine hydrochloride hydrate?
Yes, KEHONG BIO provides custom synthesis services for Temiverine hydrochloride hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.