3-Aminophthalate
TL;DR: 3-Aminophthalate (CAS 27846-29-3) is a chemical compound with molecular formula C8H5NO4-2 and molecular weight 179.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminophthalate
Also Known As: 3-aminophthalate, 3-aminophthalate dianion, RefChem:911160
| Molecular Formula | C8H5NO4-2 |
|---|---|
| Molecular Weight | 179.02 g/mol |
| LogP | -2.0042 |
| Topological Polar Surface Area | 106.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.02185 |
| Heavy Atoms | 13 |
| Complexity | 372.40683 |
Chemical Identifiers
| CAS Number | 27846-29-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)N)C(=O)[O-])C(=O)[O-] |
Product Overview
3-Aminophthalate (CAS 27846-29-3), with molecular formula C8H5NO4-2 and molecular weight 179.02 g/mol. IUPAC: 3-aminophthalate.
Chemical Property Profile of 3-Aminophthalate
Property Insights of 3-Aminophthalate
The XLogP value of -2.0042 indicates that 3-Aminophthalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Aminophthalate. Following Lipinski's Rule of Five, 3-Aminophthalate has 1 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 3-Aminophthalate?
The CAS number of 3-Aminophthalate is 27846-29-3.
What is the molecular formula of 3-Aminophthalate?
The molecular formula of 3-Aminophthalate is C8H5NO4-2.
What is the molecular weight of 3-Aminophthalate?
The molecular weight of 3-Aminophthalate is 179.02 g/mol.
Where can I buy 3-Aminophthalate?
You can request a quote for 3-Aminophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminophthalate?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.