Valethamate Bromide
TL;DR: Valethamate Bromide (CAS 90-22-2) is a chemical compound with molecular formula C19H32BrNO2 and molecular weight 385.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium bromide
Also Known As: valethamate bromide, Epidosin, Resitan, Valethamate, Ediposin
| Molecular Formula | C19H32BrNO2 |
|---|---|
| Molecular Weight | 385.16 g/mol |
| LogP | 0.85 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 385.16165 |
| Heavy Atoms | 23 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 90-22-2 |
|---|---|
| SMILES | CCC(C)C(C1=CC=CC=C1)C(=O)OCC[N+](C)(CC)CC.[Br-] |
| InChIKey | CEJGGHKJHDHLAZ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Valethamate Bromide (CAS 90-22-2), with molecular formula C19H32BrNO2 and molecular weight 385.16 g/mol. IUPAC: diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium bromide.
Chemical Property Profile of Valethamate Bromide
Property Insights of Valethamate Bromide
The XLogP value of 0.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valethamate Bromide. With a topological polar surface area (TPSA) of 26.3 Ų, Valethamate Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valethamate Bromide has 0 hydrogen bond donor(s) and 3 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 Valethamate Bromide?
The CAS number of Valethamate Bromide is 90-22-2.
What is the molecular formula of Valethamate Bromide?
The molecular formula of Valethamate Bromide is C19H32BrNO2.
What is the molecular weight of Valethamate Bromide?
The molecular weight of Valethamate Bromide is 385.16 g/mol.
Where can I buy Valethamate Bromide?
You can request a quote for Valethamate Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valethamate Bromide?
Yes, KEHONG BIO provides custom synthesis services for Valethamate Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.