4-(Butylamino)-3,5-dinitrobenzoic acid
TL;DR: 4-(Butylamino)-3,5-dinitrobenzoic acid (CAS 300689-70-7) is a chemical compound with molecular formula C11H13N3O6 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(butylamino)-3,5-dinitrobenzoic acid
Also Known As: 4-(butylamino)-3,5-dinitrobenzoic acid, 4-Butylamino-3,5-dinitro-benzoic acid, 4-(butylamino)-3,5-bisnitrobenzoic acid, 4-butylamino-3,5-dinitrobenzoic acid, BB 0247104
| Molecular Formula | C11H13N3O6 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 2.4132 |
| Topological Polar Surface Area | 135.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 283.08044 |
| Heavy Atoms | 20 |
| Complexity | 522.0846 |
Chemical Identifiers
| CAS Number | 300689-70-7 |
|---|---|
| SMILES | CCCCNC1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-] |
Product Overview
4-(Butylamino)-3,5-dinitrobenzoic acid (CAS 300689-70-7), with molecular formula C11H13N3O6 and molecular weight 283.08 g/mol. IUPAC: 4-(butylamino)-3,5-dinitrobenzoic acid.
Chemical Property Profile of 4-(Butylamino)-3,5-dinitrobenzoic acid
Property Insights of 4-(Butylamino)-3,5-dinitrobenzoic acid
The XLogP value of 2.4132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Butylamino)-3,5-dinitrobenzoic acid. The TPSA of 135.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Butylamino)-3,5-dinitrobenzoic acid. Following Lipinski's Rule of Five, 4-(Butylamino)-3,5-dinitrobenzoic acid 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 4-(Butylamino)-3,5-dinitrobenzoic acid?
The CAS number of 4-(Butylamino)-3,5-dinitrobenzoic acid is 300689-70-7.
What is the molecular formula of 4-(Butylamino)-3,5-dinitrobenzoic acid?
The molecular formula of 4-(Butylamino)-3,5-dinitrobenzoic acid is C11H13N3O6.
What is the molecular weight of 4-(Butylamino)-3,5-dinitrobenzoic acid?
The molecular weight of 4-(Butylamino)-3,5-dinitrobenzoic acid is 283.08 g/mol.
Where can I buy 4-(Butylamino)-3,5-dinitrobenzoic acid?
You can request a quote for 4-(Butylamino)-3,5-dinitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Butylamino)-3,5-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Butylamino)-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.