Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride
TL;DR: Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride (CAS 78329-78-9) is a chemical compound with molecular formula C16H27ClN2O2 and molecular weight 314.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-aminobenzoyl)oxypentyl-diethylazanium chloride
Also Known As: C 4199, 4-(4-aminobenzoyl)oxypentyl-diethylazanium chloride, p-Aminobenzoic acid, 5-(diethylamino)-2-pentyl ester, hydrochloride, 4-(4-aminobenzoyl)oxypentyl-diethylazanium,chloride, BENZOIC ACID, p-AMINO-, 5-(DIETHYLAMINO)-2-PENTYL ESTER, HYDROCHLORIDE
| Molecular Formula | C16H27ClN2O2 |
|---|---|
| Molecular Weight | 314.18 g/mol |
| LogP | -1.48 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 314.17612 |
| Heavy Atoms | 21 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 78329-78-9 |
|---|---|
| SMILES | CC[NH+](CC)CCCC(C)OC(=O)C1=CC=C(C=C1)N.[Cl-] |
| InChIKey | PFTWLDBHMWDKOP-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride (CAS 78329-78-9), with molecular formula C16H27ClN2O2 and molecular weight 314.18 g/mol. IUPAC: 4-(4-aminobenzoyl)oxypentyl-diethylazanium chloride.
Chemical Property Profile of Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride
Property Insights of Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride
The XLogP value of -1.48 indicates that Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.8 Ų, Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride has 2 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-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride?
The CAS number of Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride is 78329-78-9.
What is the molecular formula of Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride is C16H27ClN2O2.
What is the molecular weight of Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride is 314.18 g/mol.
Where can I buy Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl 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-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-amino-, 5-(diethylamino)-2-pentyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.