![[(4-硝基苯基)甲基]丁二酸 structure](/static/products/5641/56416-12-7.webp)
[(4-硝基苯基)甲基]丁二酸
TL;DR: [(4-硝基苯基)甲基]丁二酸 (CAS 56416-12-7) is a chemical compound with molecular formula C11H11NO6 and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-硝基苯基)甲基]丁二酸
2-[(4-nitrophenyl)methyl]butanedioic acid
Also Known As: CAS Number:, D,L-(p-Nitrobenzyl)succinic Acid, ((4-Nitrophenyl)methyl)succinic acid, 2-[(4-nitrophenyl)methyl]butanedioic acid, 2-(4-nitrobenzyl)succinic acid
| Molecular Formula | C11H11NO6 |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.05864 |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 56416-12-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(CC(=O)O)C(=O)O)[N+](=O)[O-] |
| InChIKey | DYDFGNHHYHDJLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(4-硝基苯基)甲基]丁二酸 (CAS 56416-12-7), with molecular formula C11H11NO6 and molecular weight 253.06 g/mol. IUPAC: 2-[(4-nitrophenyl)methyl]butanedioic acid.
Chemical Property Profile of [(4-硝基苯基)甲基]丁二酸
Property Insights of [(4-硝基苯基)甲基]丁二酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-硝基苯基)甲基]丁二酸. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-硝基苯基)甲基]丁二酸. Following Lipinski's Rule of Five, [(4-硝基苯基)甲基]丁二酸 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-硝基苯基)甲基]丁二酸?
The CAS number of [(4-硝基苯基)甲基]丁二酸 is 56416-12-7.
What is the molecular formula of [(4-硝基苯基)甲基]丁二酸?
The molecular formula of [(4-硝基苯基)甲基]丁二酸 is C11H11NO6.
What is the molecular weight of [(4-硝基苯基)甲基]丁二酸?
The molecular weight of [(4-硝基苯基)甲基]丁二酸 is 253.06 g/mol.
Where can I buy [(4-硝基苯基)甲基]丁二酸?
You can request a quote for [(4-硝基苯基)甲基]丁二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4-硝基苯基)甲基]丁二酸?
Yes, KEHONG BIO provides custom synthesis services for [(4-硝基苯基)甲基]丁二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.