Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester
TL;DR: Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester (CAS 61386-02-5) is a chemical compound with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-amino-5-[(4-amino-3-prop-2-enoxycarbonylphenyl)methyl]benzoate
Also Known As: Diallyl 5,5'-methylenedianthranilate, diallyl5,5'-methylenedianthranilate, EINECS 262-755-4, Diprop-2-en-1-yl 3,3'-methylenebis(6-aminobenzoate), Benzoic acid, 3,3'-methylenebis[6-amino-, di-2-propenyl ester
| Molecular Formula | C21H22N2O4 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 3.1274 |
| Topological Polar Surface Area | 104.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 366.15796 |
| Heavy Atoms | 27 |
| Complexity | 802.98047 |
Chemical Identifiers
| CAS Number | 61386-02-5 |
|---|---|
| SMILES | C=CCOC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C(=O)OCC=C)N |
Product Overview
Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester (CAS 61386-02-5), with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol. IUPAC: prop-2-enyl 2-amino-5-[(4-amino-3-prop-2-enoxycarbonylphenyl)methyl]benzoate.
Chemical Property Profile of Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester
Property Insights of Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester
The XLogP value of 3.1274 indicates that Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester has 2 hydrogen bond donor(s) and 6 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, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester?
The CAS number of Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester is 61386-02-5.
What is the molecular formula of Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester?
The molecular formula of Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester is C21H22N2O4.
What is the molecular weight of Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester?
The molecular weight of Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester is 366.16 g/mol.
Where can I buy Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester?
You can request a quote for Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl 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-, 1,1'-di-2-propen-1-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,3'-methylenebis[6-amino-, 1,1'-di-2-propen-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.