Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate
TL;DR: Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate (CAS 14315-26-5) is a chemical compound with molecular formula C15H13NO6 and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7,8-diacetyloxyisoquinoline-3-carboxylate
Also Known As: Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate, 3-amino-N-(4-methylphenyl)benzamide, methyl 7,8-diacetyloxyisoquinoline-3-carboxylate, NCI60_019103, methyl 7,8-diacetoxyisoquinoline-3-carboxylate
| Molecular Formula | C15H13NO6 |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.07428 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 14315-26-5 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=CN=C(C=C2C=C1)C(=O)OC)OC(=O)C |
| InChIKey | IPAJXTAZSRNPTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate (CAS 14315-26-5), with molecular formula C15H13NO6 and molecular weight 303.07 g/mol. IUPAC: methyl 7,8-diacetyloxyisoquinoline-3-carboxylate.
Chemical Property Profile of Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate
Property Insights of Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate. Following Lipinski's Rule of Five, Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate has 0 hydrogen bond donor(s) and 7 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 Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate?
The CAS number of Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate is 14315-26-5.
What is the molecular formula of Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate?
The molecular formula of Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate is C15H13NO6.
What is the molecular weight of Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate?
The molecular weight of Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate is 303.07 g/mol.
Where can I buy Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate?
You can request a quote for Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.