BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER
TL;DR: BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER (CAS 78329-91-6) is a chemical compound with molecular formula C21H35NO3 and molecular weight 349.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(dibutylamino)propoxymethyl]benzoate
Also Known As: ethyl 4-[3-(dibutylamino)propoxymethyl]benzoate, Ethyl p-((3-dibutylaminopropoxy)methyl)benzoate, p-((3-Dibutylaminopropoxy)methyl)benzoic acid ethyl ester, 3-10-00-00529 (Beilstein Handbook Reference), BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER
| Molecular Formula | C21H35NO3 |
|---|---|
| Molecular Weight | 349.26 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 349.2617 |
| Heavy Atoms | 25 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 78329-91-6 |
|---|---|
| SMILES | CCCCN(CCCC)CCCOCC1=CC=C(C=C1)C(=O)OCC |
| InChIKey | HOOWPNUGOVLMOE-UHFFFAOYSA-N |
Product Overview
BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER (CAS 78329-91-6), with molecular formula C21H35NO3 and molecular weight 349.26 g/mol. IUPAC: ethyl 4-[3-(dibutylamino)propoxymethyl]benzoate.
Chemical Property Profile of BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER
Property Insights of BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER
The XLogP value of 4.7 indicates that BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER 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, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER has 0 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-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER?
The CAS number of BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER is 78329-91-6.
What is the molecular formula of BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER?
The molecular formula of BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER is C21H35NO3.
What is the molecular weight of BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER?
The molecular weight of BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER is 349.26 g/mol.
Where can I buy BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER?
You can request a quote for BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER 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-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER?
Yes, KEHONG BIO provides custom synthesis services for BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.