Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride
TL;DR: Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride (CAS 78329-87-0) is a chemical compound with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-butoxycarbonyl-N-butylanilino)-2-oxoethyl]-butylazanium chloride
Also Known As: C 3192, BENZOIC ACID, p-(N-BUTYL-2-(BUTYLAMINO)ACETAMIDO)-, BUTYL ESTER, HYDROCHLORIDE, p-(N-Butyl-2-(butylamino)acetamido)benzoic acid, butyl ester hydrrochloride, N-(2-{[4-(Butoxycarbonyl)phenyl](butyl)amino}-2-oxoethyl)-1-butanaminium chloride, [(4-butoxycarbonylphenyl)-butyl-carbamoyl]methyl-butyl-azanium chlorid e
| Molecular Formula | C21H35ClN2O3 |
|---|---|
| Molecular Weight | 398.23 g/mol |
| LogP | 0.14 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 398.2336 |
| Heavy Atoms | 27 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 78329-87-0 |
|---|---|
| SMILES | CCCC[NH2+]CC(=O)N(CCCC)C1=CC=C(C=C1)C(=O)OCCCC.[Cl-] |
| InChIKey | PMGFSDBWIONHAB-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride (CAS 78329-87-0), with molecular formula C21H35ClN2O3 and molecular weight 398.23 g/mol. IUPAC: [2-(4-butoxycarbonyl-N-butylanilino)-2-oxoethyl]-butylazanium chloride.
Chemical Property Profile of Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride
Property Insights of Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride
The XLogP value of 0.14 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride. Following Lipinski's Rule of Five, Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride has 1 hydrogen bond donor(s) and 4 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 Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride?
The CAS number of Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride is 78329-87-0.
What is the molecular formula of Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride is C21H35ClN2O3.
What is the molecular weight of Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride is 398.23 g/mol.
Where can I buy Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.