Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester
TL;DR: Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester (CAS 78329-90-5) is a chemical compound with molecular formula C30H54N2O3 and molecular weight 490.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dibutylamino)propyl 4-[3-(dibutylamino)propoxymethyl]benzoate
Also Known As: 3-10-00-00530 (Beilstein Handbook Reference), 3-(Dibutylamino)propyl p-((3-dibutylaminopropoxy)methyl)benzoate, BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, 3-(DIBUTYLAMINO)PROPYL ESTER, p-((3-Dibutylaminopropoxy)methyl)benzoic acid 3-dibutylaminopropyl ester, 3-(dibutylamino)propyl 4-{[3-(dibutylamino)propoxy]methyl}benzoate
| Molecular Formula | C30H54N2O3 |
|---|---|
| Molecular Weight | 490.41 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 24 |
| Exact Mass | 490.41345 |
| Heavy Atoms | 35 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 78329-90-5 |
|---|---|
| SMILES | CCCCN(CCCC)CCCOCC1=CC=C(C=C1)C(=O)OCCCN(CCCC)CCCC |
| InChIKey | BPCBFHJFGFDZBF-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester (CAS 78329-90-5), with molecular formula C30H54N2O3 and molecular weight 490.41 g/mol. IUPAC: 3-(dibutylamino)propyl 4-[3-(dibutylamino)propoxymethyl]benzoate.
Chemical Property Profile of Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester
Property Insights of Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester
The XLogP value of 7.2 indicates that Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester?
The CAS number of Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester is 78329-90-5.
What is the molecular formula of Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester?
The molecular formula of Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester is C30H54N2O3.
What is the molecular weight of Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester?
The molecular weight of Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester is 490.41 g/mol.
Where can I buy Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester?
You can request a quote for Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl 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)-, 3-(dibutylamino)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-((3-dibutylaminopropoxy)methyl)-, 3-(dibutylamino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.