Vetrabutine hydrochloride
TL;DR: Vetrabutine hydrochloride (CAS 5974-09-4) is a chemical compound with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-N,N-dimethyl-4-phenylbutan-1-amine;hydrochloride
Also Known As: Vetrabutine hydrochloride, Monzal, Vetrabutine HCl, Monzaldon hydrochloride, Vetrabutin chlorhydrate
| Molecular Formula | C20H28ClNO2 |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | 4.75 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 349.18085 |
| Heavy Atoms | 24 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 5974-09-4 |
|---|---|
| SMILES | CN(C)C(CCCC1=CC=CC=C1)C2=CC(=C(C=C2)OC)OC.Cl |
| InChIKey | SRKJRPFCSZFVAE-UHFFFAOYSA-N |
Product Overview
Vetrabutine hydrochloride (CAS 5974-09-4), with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-N,N-dimethyl-4-phenylbutan-1-amine;hydrochloride.
Chemical Property Profile of Vetrabutine hydrochloride
Property Insights of Vetrabutine hydrochloride
The XLogP value of 4.75 indicates that Vetrabutine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, Vetrabutine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vetrabutine hydrochloride has 1 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 Vetrabutine hydrochloride?
The CAS number of Vetrabutine hydrochloride is 5974-09-4.
What is the molecular formula of Vetrabutine hydrochloride?
The molecular formula of Vetrabutine hydrochloride is C20H28ClNO2.
What is the molecular weight of Vetrabutine hydrochloride?
The molecular weight of Vetrabutine hydrochloride is 349.18 g/mol.
Where can I buy Vetrabutine hydrochloride?
You can request a quote for Vetrabutine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vetrabutine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Vetrabutine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.