4-甲酰基苯-1,2-二甲酸
TL;DR: 4-甲酰基苯-1,2-二甲酸 (CAS 144876-16-4) is a chemical compound with molecular formula C9H6O5 and molecular weight 194.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲酰基苯-1,2-二甲酸
4-formylphthalic acid
Also Known As: 4-formylphthalic acid, 1,2-Benzenedicarboxylic acid, 4-formyl-, 4-formylbenzene-1,2-dicarboxylic acid, 854-053-7, RefChem:523540
| Molecular Formula | C9H6O5 |
|---|---|
| Molecular Weight | 194.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.02153 |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 144876-16-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=O)C(=O)O)C(=O)O |
| InChIKey | PNODFDYINILVKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲酰基苯-1,2-二甲酸 (CAS 144876-16-4), with molecular formula C9H6O5 and molecular weight 194.02 g/mol. IUPAC: 4-formylphthalic acid.
Chemical Property Profile of 4-甲酰基苯-1,2-二甲酸
Property Insights of 4-甲酰基苯-1,2-二甲酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲酰基苯-1,2-二甲酸. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲酰基苯-1,2-二甲酸. Following Lipinski's Rule of Five, 4-甲酰基苯-1,2-二甲酸 has 2 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 4-甲酰基苯-1,2-二甲酸?
The CAS number of 4-甲酰基苯-1,2-二甲酸 is 144876-16-4.
What is the molecular formula of 4-甲酰基苯-1,2-二甲酸?
The molecular formula of 4-甲酰基苯-1,2-二甲酸 is C9H6O5.
What is the molecular weight of 4-甲酰基苯-1,2-二甲酸?
The molecular weight of 4-甲酰基苯-1,2-二甲酸 is 194.02 g/mol.
Where can I buy 4-甲酰基苯-1,2-二甲酸?
You can request a quote for 4-甲酰基苯-1,2-二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲酰基苯-1,2-二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲酰基苯-1,2-二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.