F1736-0816
TL;DR: F1736-0816 (CAS 868154-30-7) is a chemical compound with molecular formula C20H19NO7 and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethoxy-2-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoate
Also Known As: F1736-0816, methyl 4,5-dimethoxy-2-{[(1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoate, methyl 4,5-dimethoxy-2-(1-oxoisochroman-3-carboxamido)benzoate, methyl 4,5-dimethoxy-2-(1-oxo-3-isochromanylcarbonylamino)benzoate, methyl 4,5-dimethoxy-2-[(1-oxoisochroman-3-yl)carbonylamino]benzoate
| Molecular Formula | C20H19NO7 |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | 2.2106 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.11615 |
| Heavy Atoms | 28 |
| Complexity | 938.1466 |
Chemical Identifiers
| CAS Number | 868154-30-7 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CC3=CC=CC=C3C(=O)O2)OC |
Product Overview
F1736-0816 (CAS 868154-30-7), with molecular formula C20H19NO7 and molecular weight 385.12 g/mol. IUPAC: methyl 4,5-dimethoxy-2-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoate.
Chemical Property Profile of F1736-0816
Property Insights of F1736-0816
The XLogP value of 2.2106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1736-0816. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for F1736-0816. Following Lipinski's Rule of Five, F1736-0816 has 1 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 F1736-0816?
The CAS number of F1736-0816 is 868154-30-7.
What is the molecular formula of F1736-0816?
The molecular formula of F1736-0816 is C20H19NO7.
What is the molecular weight of F1736-0816?
The molecular weight of F1736-0816 is 385.12 g/mol.
Where can I buy F1736-0816?
You can request a quote for F1736-0816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1736-0816?
Yes, KEHONG BIO provides custom synthesis services for F1736-0816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.