RefChem:1079309
TL;DR: RefChem:1079309 (CAS 69781-03-9) is a chemical compound with molecular formula C26H39ClN2O3 and molecular weight 462.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-butoxybenzoyl)oxy-2-[(dimethylamino)methyl]-4-phenylbutyl]-dimethylazanium chloride
Also Known As: p-Butoxybenzoic acid (bis(dimethylaminomethyl)phenethyl)methyl ester hydrochloride, Benzoic acid, p-butoxy-, (bis(dimethylaminomethyl)phenethyl)methyl ester, hydrochloride, [2-(4-butoxybenzoyl)oxy-2-(dimethylaminomethyl)-4-phenylbutyl]-dimethylazanium chloride, alpha,alpha-Di(dimethylaminomethyl)-gamma-phenylpropyl-4-butoxy benzoate hydrochloride, RefChem:1079309
| Molecular Formula | C26H39ClN2O3 |
|---|---|
| Molecular Weight | 462.26 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 462.26492 |
| Heavy Atoms | 32 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 69781-03-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OC(CCC2=CC=CC=C2)(C[NH+](C)C)CN(C)C.[Cl-] |
| InChIKey | RHXABAQMLZAWLG-UHFFFAOYSA-N |
Product Overview
RefChem:1079309 (CAS 69781-03-9), with molecular formula C26H39ClN2O3 and molecular weight 462.26 g/mol. IUPAC: [2-(4-butoxybenzoyl)oxy-2-[(dimethylamino)methyl]-4-phenylbutyl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:1079309
Property Insights of RefChem:1079309
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1079309. With a topological polar surface area (TPSA) of 43.2 Ų, RefChem:1079309 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1079309 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 RefChem:1079309?
The CAS number of RefChem:1079309 is 69781-03-9.
What is the molecular formula of RefChem:1079309?
The molecular formula of RefChem:1079309 is C26H39ClN2O3.
What is the molecular weight of RefChem:1079309?
The molecular weight of RefChem:1079309 is 462.26 g/mol.
Where can I buy RefChem:1079309?
You can request a quote for RefChem:1079309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079309?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.