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Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) structure
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Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)

TL;DR: Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) (CAS 136-46-9) is a chemical compound with molecular formula C15H24ClNO3 and molecular weight 301.14447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-(diethylamino)ethyl 4-ethoxybenzoate;hydrochloride

Also Known As: Parethoxycaine hydrochloride, Medecaina, Parethoxycaine HCl, Paraethoxycaine, Ethoxycaine

CAS Number
136-46-9
Molecular Formula
C15H24ClNO3
Molecular Weight
301.14447 g/mol
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Application Areas

Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.

Pharmaceutical Intermediates (1 patents)

Technical Specifications

Molecular FormulaC15H24ClNO3
Molecular Weight301.14447 g/mol
XLogP3.01
Topological Polar Surface Area (TPSA)38.8 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors4
Rotatable Bonds9
Exact Mass301.14447 Da
Heavy Atoms20
Complexity246.0
SMILESCCN(CC)CCOC(=O)C1=CC=C(C=C1)OCC.Cl
InChIKeySFLZPZAKIKUJKP-UHFFFAOYSA-N

Product Description

Applications: Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) (CAS 136-46-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) (CAS 136-46-9) is a pharmaceutical intermediate with the molecular formula C15H24ClNO3 and a molecular weight of 301.14 g/mol. It is also known as Parethoxycaine hydrochloride and Medecaina.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)

XLogP
3.01
TPSA (Topological Polar Surface Area)
38.8
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
Rotatable Bonds
9
Heavy Atoms
20
Complexity
246.0
Exact Mass
301.14447
Monoisotopic Mass
301.14447
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)

The XLogP value of 3.01 indicates that Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) 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

What is the CAS number of Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?

The CAS number of Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is 136-46-9.

What is the molecular formula of Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?

The molecular formula of Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is C15H24ClNO3.

What is the molecular weight of Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?

The molecular weight of Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is 301.14447 g/mol.

What are the applications of Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?

Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride...

Where can I buy Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?

You can request a quote for Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?

Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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