3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸
TL;DR: 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸 (CAS 17057-07-7) is a chemical compound with molecular formula C11H7NO4 and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸
3-(2,5-dioxopyrrol-1-yl)benzoic acid
Also Known As: 3-Maleimido-benzoic acid, 3-n-maleimidobenzoic acid, 3-maleimidobenzoic acid, 3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid, m-Maleimidobenzoic acid
| Molecular Formula | C11H7NO4 |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0375 |
| Heavy Atoms | 16 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 17057-07-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C=CC2=O)C(=O)O |
| InChIKey | ZJGBFJBMTKEFNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸 (CAS 17057-07-7), with molecular formula C11H7NO4 and molecular weight 217.04 g/mol. IUPAC: 3-(2,5-dioxopyrrol-1-yl)benzoic acid.
Chemical Property Profile of 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸
Property Insights of 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸. Following Lipinski's Rule of Five, 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸 has 1 hydrogen bond donor(s) and 4 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 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸?
The CAS number of 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸 is 17057-07-7.
What is the molecular formula of 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸?
The molecular formula of 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸 is C11H7NO4.
What is the molecular weight of 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸?
The molecular weight of 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸 is 217.04 g/mol.
Where can I buy 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸?
You can request a quote for 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-二氢-2,5-二氧代(1H)-吡咯-1-基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.