(Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
TL;DR: (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 869078-19-3) is a chemical compound with molecular formula C22H21NO6 and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[6-hydroxy-7-(morpholin-4-ylmethyl)-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
Also Known As: (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, F1860-0359, methyl 4-[(Z)-[6-hydroxy-7-(morpholin-4-ylmethyl)-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate, methyl 4-{[(2Z)-6-hydroxy-7-[(morpholin-4-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene]methyl}benzoate, Methyl 4-[(Z)-[6-hydroxy-7-(morpholin-4-ylmethyl)-3-oxo-benzofuran-2-ylidene]methyl]benzoate
| Molecular Formula | C22H21NO6 |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 2.6272 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.1369 |
| Heavy Atoms | 29 |
| Complexity | 973.5422 |
Chemical Identifiers
| CAS Number | 869078-19-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCOCC4 |
Product Overview
(Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 869078-19-3), with molecular formula C22H21NO6 and molecular weight 395.14 g/mol. IUPAC: methyl 4-[(Z)-[6-hydroxy-7-(morpholin-4-ylmethyl)-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate.
Chemical Property Profile of (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
Property Insights of (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
The XLogP value of 2.6272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate 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 (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The CAS number of (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 869078-19-3.
What is the molecular formula of (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular formula of (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is C22H21NO6.
What is the molecular weight of (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular weight of (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 395.14 g/mol.
Where can I buy (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
You can request a quote for (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-((6-hydroxy-7-(morpholinomethyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.