2-(2,4-Dinitroanilino)pentanedioic acid
TL;DR: 2-(2,4-Dinitroanilino)pentanedioic acid (CAS 1655-48-7) is a chemical compound with molecular formula C11H11N3O8 and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitroanilino)pentanedioic acid
Also Known As: DNP-DL-GLUTAMIC ACID, DL-Glutamic acid, 2-(2,4-Dinitroanilino)pentanedioic acid, N-(2,4-Dinitrophenyl)-DL-glutamic acid, 2,4-Dinitrophenyl-DL-glutamic acid
| Molecular Formula | C11H11N3O8 |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.05463 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 1655-48-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CCC(=O)O)C(=O)O |
| InChIKey | NZBKHTRVUNPZEN-UHFFFAOYSA-N |
Product Overview
2-(2,4-Dinitroanilino)pentanedioic acid (CAS 1655-48-7), with molecular formula C11H11N3O8 and molecular weight 313.05 g/mol. IUPAC: 2-(2,4-dinitroanilino)pentanedioic acid.
Chemical Property Profile of 2-(2,4-Dinitroanilino)pentanedioic acid
Property Insights of 2-(2,4-Dinitroanilino)pentanedioic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-Dinitroanilino)pentanedioic acid. The TPSA of 178.0 Ų indicates high polarity, suggesting 2-(2,4-Dinitroanilino)pentanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2,4-Dinitroanilino)pentanedioic acid has 3 hydrogen bond donor(s) and 9 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-(2,4-Dinitroanilino)pentanedioic acid?
The CAS number of 2-(2,4-Dinitroanilino)pentanedioic acid is 1655-48-7.
What is the molecular formula of 2-(2,4-Dinitroanilino)pentanedioic acid?
The molecular formula of 2-(2,4-Dinitroanilino)pentanedioic acid is C11H11N3O8.
What is the molecular weight of 2-(2,4-Dinitroanilino)pentanedioic acid?
The molecular weight of 2-(2,4-Dinitroanilino)pentanedioic acid is 313.05 g/mol.
Where can I buy 2-(2,4-Dinitroanilino)pentanedioic acid?
You can request a quote for 2-(2,4-Dinitroanilino)pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dinitroanilino)pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dinitroanilino)pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.