5-氨基间苯二甲酸
TL;DR: 5-氨基间苯二甲酸 (CAS 99-31-0) 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.
5-氨基间苯二甲酸
5-aminobenzene-1,3-dicarboxylic acid
Also Known As: 5-Aminoisophthalic acid, 5-Aminobenzene-1,3-dicarboxylic acid, 3,5-Dicarboxyaniline, Isophthalic acid, 5-amino-, 5-Aminoisophthalicacid
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 99-31-0 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)O)N)C(=O)O |
| InChIKey | KBZFDRWPMZESDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氨基间苯二甲酸 (CAS 99-31-0), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 5-aminobenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-氨基间苯二甲酸
Property Insights of 5-氨基间苯二甲酸
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氨基间苯二甲酸. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-氨基间苯二甲酸. Following Lipinski's Rule of Five, 5-氨基间苯二甲酸 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 5-氨基间苯二甲酸?
The CAS number of 5-氨基间苯二甲酸 is 99-31-0.
What is the molecular formula of 5-氨基间苯二甲酸?
The molecular formula of 5-氨基间苯二甲酸 is C8H7NO4.
What is the molecular weight of 5-氨基间苯二甲酸?
The molecular weight of 5-氨基间苯二甲酸 is 181.04 g/mol.
Where can I buy 5-氨基间苯二甲酸?
You can request a quote for 5-氨基间苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氨基间苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氨基间苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.