4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride
TL;DR: 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride (CAS 40452-16-2) is a chemical compound with molecular formula C18H21Cl3N2O2 and molecular weight 402.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-benzyl-4-butoxy-3,5-dichlorobenzohydrazide;hydrochloride
Also Known As: 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride, n'-benzyl-4-butoxy-3,5-dichlorobenzohydrazide hydrochloride(1:1), N'-benzyl-4-butoxy-3,5-dichlorobenzohydrazide hydrochloride, Benzoic acid, 4-butoxy-3,5-dichloro-, 2-benzylhydrazide, monohydrochloride, N-Benzyl-4-butoxy-3,5-dichlorobenzene-1-carbohydrazonic acid--hydrogen chloride (1/1)
| Molecular Formula | C18H21Cl3N2O2 |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 5.0287 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.06686 |
| Heavy Atoms | 25 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 40452-16-2 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1Cl)C(=O)NNCC2=CC=CC=C2)Cl.Cl |
| InChIKey | QMOLKOQRRCXQMV-UHFFFAOYSA-N |
Product Overview
4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride (CAS 40452-16-2), with molecular formula C18H21Cl3N2O2 and molecular weight 402.07 g/mol. IUPAC: N'-benzyl-4-butoxy-3,5-dichlorobenzohydrazide;hydrochloride.
Chemical Property Profile of 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride
Property Insights of 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride
The XLogP value of 5.0287 indicates that 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride?
The CAS number of 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride is 40452-16-2.
What is the molecular formula of 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride?
The molecular formula of 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride is C18H21Cl3N2O2.
What is the molecular weight of 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride?
The molecular weight of 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride is 402.07 g/mol.
Where can I buy 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride?
You can request a quote for 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Butoxy-3,5-dichlorobenzoic acid 2-benzylhydrazide monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.