Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester
TL;DR: Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester (CAS 2078-11-7) is a chemical compound with molecular formula C14H19N3O6 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(dipropylamino)-3,5-dinitrobenzoate
Also Known As: Methyl 3,5-dinitro-4-(dipropylamino)benzoate, methyl 4-(dipropylamino)-3,5-dinitrobenzoate, Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester, methyl 4-(dipropylamino)-3,5-dinitro-benzoate
| Molecular Formula | C14H19N3O6 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 2.916 |
| Topological Polar Surface Area | 115.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 325.12738 |
| Heavy Atoms | 23 |
| Complexity | 575.5253 |
Chemical Identifiers
| CAS Number | 2078-11-7 |
|---|---|
| SMILES | CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC)[N+](=O)[O-] |
Product Overview
Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester (CAS 2078-11-7), with molecular formula C14H19N3O6 and molecular weight 325.13 g/mol. IUPAC: methyl 4-(dipropylamino)-3,5-dinitrobenzoate.
Chemical Property Profile of Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester
Property Insights of Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester
The XLogP value of 2.916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester. The TPSA of 115.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester has 0 hydrogen bond donor(s) and 7 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, 3,5-dinitro-4-(dipropylamino)-, methyl ester?
The CAS number of Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester is 2078-11-7.
What is the molecular formula of Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester?
The molecular formula of Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester is C14H19N3O6.
What is the molecular weight of Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester?
The molecular weight of Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester is 325.13 g/mol.
Where can I buy Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester?
You can request a quote for Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl 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, 3,5-dinitro-4-(dipropylamino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-dinitro-4-(dipropylamino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.