![ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate structure](/static/products/896/896380-60-2.png)
ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
TL;DR: ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate (CAS 896380-60-2) is a chemical compound with molecular formula C27H24ClN3O6 and molecular weight 521.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridin-2-ylidene]amino]benzoate
Also Known As: ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate, ethyl 4-[[3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridin-2-ylidene]amino]benzoate, ethyl 4-{[(2Z)-3-{[(5-chloro-2-methoxyphenyl)amino]carbonyl}-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
| Molecular Formula | C27H24ClN3O6 |
|---|---|
| Molecular Weight | 521.14 g/mol |
| LogP | 4.95192 |
| Topological Polar Surface Area | 123.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.1354 |
| Heavy Atoms | 37 |
| Complexity | 1546.8121 |
Chemical Identifiers
| CAS Number | 896380-60-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2C(=CC3=C(O2)C(=NC=C3CO)C)C(=O)NC4=C(C=CC(=C4)Cl)OC |
Product Overview
ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate (CAS 896380-60-2), with molecular formula C27H24ClN3O6 and molecular weight 521.14 g/mol. IUPAC: ethyl 4-[[3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridin-2-ylidene]amino]benzoate.
Chemical Property Profile of ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
Property Insights of ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
The XLogP value of 4.95192 indicates that ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate?
The CAS number of ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate is 896380-60-2.
What is the molecular formula of ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate?
The molecular formula of ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate is C27H24ClN3O6.
What is the molecular weight of ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate?
The molecular weight of ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate is 521.14 g/mol.
Where can I buy ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate?
You can request a quote for ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[(2Z)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.