9-氨基-2-吖啶甲酸甲酯
TL;DR: 9-氨基-2-吖啶甲酸甲酯 (CAS 64046-78-2) is a chemical compound with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-氨基-2-吖啶甲酸甲酯
methyl 9-aminoacridine-2-carboxylate
Also Known As: methyl 9-aminoacridine-2-carboxylate, Acridine, 9-amino-2-methoxycarbonyl-, Acridine,9-amino-2-methoxycarbonyl, 5-Amino-3-carbomethoxyacridine (European), 2-ACRIDINECARBOXYLIC ACID, 9-AMINO-, METHYL ESTER
| Molecular Formula | C15H12N2O2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08987 |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 64046-78-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C3=CC=CC=C3N=C2C=C1)N |
| InChIKey | LHERLWVEBQULCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-氨基-2-吖啶甲酸甲酯 (CAS 64046-78-2), with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol. IUPAC: methyl 9-aminoacridine-2-carboxylate.
Chemical Property Profile of 9-氨基-2-吖啶甲酸甲酯
Property Insights of 9-氨基-2-吖啶甲酸甲酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-氨基-2-吖啶甲酸甲酯. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-氨基-2-吖啶甲酸甲酯. Following Lipinski's Rule of Five, 9-氨基-2-吖啶甲酸甲酯 has 1 hydrogen bond donor(s) and 4 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 9-氨基-2-吖啶甲酸甲酯?
The CAS number of 9-氨基-2-吖啶甲酸甲酯 is 64046-78-2.
What is the molecular formula of 9-氨基-2-吖啶甲酸甲酯?
The molecular formula of 9-氨基-2-吖啶甲酸甲酯 is C15H12N2O2.
What is the molecular weight of 9-氨基-2-吖啶甲酸甲酯?
The molecular weight of 9-氨基-2-吖啶甲酸甲酯 is 252.09 g/mol.
Where can I buy 9-氨基-2-吖啶甲酸甲酯?
You can request a quote for 9-氨基-2-吖啶甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-氨基-2-吖啶甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 9-氨基-2-吖啶甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.