2,4-二硝基苯丁酸
TL;DR: 2,4-二硝基苯丁酸 (CAS 52120-49-7) is a chemical compound with molecular formula C10H10N2O6 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-二硝基苯丁酸
4-(2,4-dinitrophenyl)butanoic acid
Also Known As: 4-(2,4-dinitrophenyl)butanoic acid, 2,4-Dinitrobenzenebutyric acid, dinitrophenylbutanoicacid, 2,4-dinitrobenzenebutyricacid, 2,4-Dinitrobenzenebutanoic acid
| Molecular Formula | C10H10N2O6 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.05388 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 52120-49-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCCC(=O)O |
| InChIKey | SWEYUZMSQYUAIL-UHFFFAOYSA-N |
Product Overview
2,4-二硝基苯丁酸 (CAS 52120-49-7), with molecular formula C10H10N2O6 and molecular weight 254.05 g/mol. IUPAC: 4-(2,4-dinitrophenyl)butanoic acid.
Chemical Property Profile of 2,4-二硝基苯丁酸
Property Insights of 2,4-二硝基苯丁酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-二硝基苯丁酸. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-二硝基苯丁酸. Following Lipinski's Rule of Five, 2,4-二硝基苯丁酸 has 1 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 2,4-二硝基苯丁酸?
The CAS number of 2,4-二硝基苯丁酸 is 52120-49-7.
What is the molecular formula of 2,4-二硝基苯丁酸?
The molecular formula of 2,4-二硝基苯丁酸 is C10H10N2O6.
What is the molecular weight of 2,4-二硝基苯丁酸?
The molecular weight of 2,4-二硝基苯丁酸 is 254.05 g/mol.
Where can I buy 2,4-二硝基苯丁酸?
You can request a quote for 2,4-二硝基苯丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二硝基苯丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二硝基苯丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.