A13 (ATA pure component in ammonium salt form)
TL;DR: A13 (ATA pure component in ammonium salt form) (CAS 857024-60-3) is a chemical compound with molecular formula C22H17NO9 and molecular weight 439.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid
Also Known As: A13 (ATA pure component in ammonium salt form), 5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid amine, 5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxocyclohexa-2,5-dienylidene)methyl ]-2-hydroxybenzoic acid, N, azane; 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid
| Molecular Formula | C22H17NO9 |
|---|---|
| Molecular Weight | 439.09 g/mol |
| LogP | 2.608 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.09033 |
| Heavy Atoms | 32 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 857024-60-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O.N |
| InChIKey | LFXMPIXQCOMNSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
A13 (ATA pure component in ammonium salt form) (CAS 857024-60-3), with molecular formula C22H17NO9 and molecular weight 439.09 g/mol. IUPAC: azane;5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid.
Chemical Property Profile of A13 (ATA pure component in ammonium salt form)
Property Insights of A13 (ATA pure component in ammonium salt form)
The XLogP value of 2.608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A13 (ATA pure component in ammonium salt form). The TPSA of 170.0 Ų indicates high polarity, suggesting A13 (ATA pure component in ammonium salt form) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A13 (ATA pure component in ammonium salt form) has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A13 (ATA pure component in ammonium salt form)?
The CAS number of A13 (ATA pure component in ammonium salt form) is 857024-60-3.
What is the molecular formula of A13 (ATA pure component in ammonium salt form)?
The molecular formula of A13 (ATA pure component in ammonium salt form) is C22H17NO9.
What is the molecular weight of A13 (ATA pure component in ammonium salt form)?
The molecular weight of A13 (ATA pure component in ammonium salt form) is 439.09 g/mol.
Where can I buy A13 (ATA pure component in ammonium salt form)?
You can request a quote for A13 (ATA pure component in ammonium salt form) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A13 (ATA pure component in ammonium salt form)?
Yes, KEHONG BIO provides custom synthesis services for A13 (ATA pure component in ammonium salt form) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.