氨基对苯二甲酸
TL;DR: 氨基对苯二甲酸 (CAS 53967-72-9) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨基对苯二甲酸
2-aminoterephthalic acid
Also Known As: 2-Aminoterephthalic acid, AMINOTEREPHTHALIc acid, 2-aminobenzene-1,4-dicarboxylic acid, 2-aminoterephthalic, aminoterephthalicacid
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 0.6652 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 372.40683 |
Chemical Identifiers
| CAS Number | 53967-72-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)N)C(=O)O |
Product Overview
氨基对苯二甲酸 (CAS 53967-72-9), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 2-aminoterephthalic acid.
Chemical Property Profile of 氨基对苯二甲酸
Property Insights of 氨基对苯二甲酸
The XLogP value of 0.6652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氨基对苯二甲酸. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 氨基对苯二甲酸. Following Lipinski's Rule of Five, 氨基对苯二甲酸 has 3 hydrogen bond donor(s) and 3 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 氨基对苯二甲酸?
The CAS number of 氨基对苯二甲酸 is 53967-72-9.
What is the molecular formula of 氨基对苯二甲酸?
The molecular formula of 氨基对苯二甲酸 is C8H7NO4.
What is the molecular weight of 氨基对苯二甲酸?
The molecular weight of 氨基对苯二甲酸 is 181.04 g/mol.
Where can I buy 氨基对苯二甲酸?
You can request a quote for 氨基对苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨基对苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 氨基对苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.