![2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid structure](/static/products/528/52853-45-9.png)
2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid
TL;DR: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid (CAS 52853-45-9) is a chemical compound with molecular formula C14H14N2O7 and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid
Also Known As: N-[(2E)-3-(4-Nitrophenyl)prop-2-enoyl]glutamic acid, 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid
| Molecular Formula | C14H14N2O7 |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 1.0422 |
| Topological Polar Surface Area | 146.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 322.0801 |
| Heavy Atoms | 23 |
| Complexity | 637.0308 |
Chemical Identifiers
| CAS Number | 52853-45-9 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)NC(CCC(=O)O)C(=O)O)[N+](=O)[O-] |
Product Overview
2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid (CAS 52853-45-9), with molecular formula C14H14N2O7 and molecular weight 322.08 g/mol. IUPAC: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid.
Chemical Property Profile of 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid
Property Insights of 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid
The XLogP value of 1.0422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid. The TPSA of 146.84 Ų indicates high polarity, suggesting 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid has 3 hydrogen bond donor(s) and 5 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-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid?
The CAS number of 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid is 52853-45-9.
What is the molecular formula of 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid?
The molecular formula of 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid is C14H14N2O7.
What is the molecular weight of 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid?
The molecular weight of 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid is 322.08 g/mol.
Where can I buy 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid?
You can request a quote for 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]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-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.