Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester
TL;DR: Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester (CAS 81924-76-7) is a chemical compound with molecular formula C25H34N2O4 and molecular weight 426.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-amino-5-[(4-amino-3-pentoxycarbonylphenyl)methyl]benzoate
Also Known As: Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester, 4,4'-methylenebis(o-carbopentoxyaniline), Dipentyl 3,3'-methylenebis(6-aminobenzoate), J2.265.972C, 3,3 -Methylenebis(6-aminobenzoic acid pentyl) ester
| Molecular Formula | C25H34N2O4 |
|---|---|
| Molecular Weight | 426.25 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 426.25186 |
| Heavy Atoms | 31 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 81924-76-7 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C(=O)OCCCCC)N |
| InChIKey | HJHVZQFCOSGQSZ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester (CAS 81924-76-7), with molecular formula C25H34N2O4 and molecular weight 426.25 g/mol. IUPAC: pentyl 2-amino-5-[(4-amino-3-pentoxycarbonylphenyl)methyl]benzoate.
Chemical Property Profile of Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester
Property Insights of Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester
The XLogP value of 6.9 indicates that Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester has 2 hydrogen bond donor(s) and 6 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, 3,3'-methylenebis(6-amino-, dipentyl ester?
The CAS number of Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester is 81924-76-7.
What is the molecular formula of Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester?
The molecular formula of Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester is C25H34N2O4.
What is the molecular weight of Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester?
The molecular weight of Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester is 426.25 g/mol.
Where can I buy Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester?
You can request a quote for Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl 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, 3,3'-methylenebis(6-amino-, dipentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,3'-methylenebis(6-amino-, dipentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.