Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride
TL;DR: Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride (CAS 73713-58-3) is a chemical compound with molecular formula C14H20Cl3NO2 and molecular weight 339.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorobenzoyl)oxypropan-2-yl-diethylazanium chloride
Also Known As: 2,4-Dichlorobenzoic acid 2-(diethylamino)propyl ester hydrochloride, beta-Diethylaminopropyl 2,4-dichlorobenzoate hydrochloride, 1-(2,4-dichlorobenzoyl)oxypropan-2-yl-diethylazanium chloride, BENZOIC ACID, 2,4-DICHLORO-, 2-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE, RefChem:1078915
| Molecular Formula | C14H20Cl3NO2 |
|---|---|
| Molecular Weight | 339.06 g/mol |
| LogP | -0.53 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.05597 |
| Heavy Atoms | 20 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 73713-58-3 |
|---|---|
| SMILES | CC[NH+](CC)C(C)COC(=O)C1=C(C=C(C=C1)Cl)Cl.[Cl-] |
| InChIKey | XGTYWKQQTJLJII-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride (CAS 73713-58-3), with molecular formula C14H20Cl3NO2 and molecular weight 339.06 g/mol. IUPAC: 1-(2,4-dichlorobenzoyl)oxypropan-2-yl-diethylazanium chloride.
Chemical Property Profile of Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride
Property Insights of Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride
The XLogP value of -0.53 indicates that Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, 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 Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride?
The CAS number of Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride is 73713-58-3.
What is the molecular formula of Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride?
The molecular formula of Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride is C14H20Cl3NO2.
What is the molecular weight of Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride?
The molecular weight of Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride is 339.06 g/mol.
Where can I buy Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride?
You can request a quote for Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl 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, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,4-dichloro-, 2-(diethylamino)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.