methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate
TL;DR: methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate (CAS 890628-86-1) is a chemical compound with molecular formula C18H15N3O5 and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate
Also Known As: methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate, 4-(2-Oxo-1,2-dihydro-indol-3-ylidene-hydrazinocarbonylmethoxy)-benzoic acid, methyl ester, methyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate, methyl 4-({N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methoxy)benzoate, methyl 4-[2-[(2-hydroxy-1H-indol-3-yl)azo]-2-oxo-ethoxy]benzoate
| Molecular Formula | C18H15N3O5 |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 3.3494 |
| Topological Polar Surface Area | 113.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.10117 |
| Heavy Atoms | 26 |
| Complexity | 976.16016 |
Chemical Identifiers
| CAS Number | 890628-86-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OCC(=O)N=NC2=C(NC3=CC=CC=C32)O |
Product Overview
methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate (CAS 890628-86-1), with molecular formula C18H15N3O5 and molecular weight 353.10 g/mol. IUPAC: methyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate.
Chemical Property Profile of methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate
Property Insights of methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate
The XLogP value of 3.3494 indicates that methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.34 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate. Following Lipinski's Rule of Five, methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate has 2 hydrogen bond donor(s) and 6 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 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate?
The CAS number of methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate is 890628-86-1.
What is the molecular formula of methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate?
The molecular formula of methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate is C18H15N3O5.
What is the molecular weight of methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate?
The molecular weight of methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate is 353.10 g/mol.
Where can I buy methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate?
You can request a quote for methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-((N-(aza(2-oxoindolin-3-ylidene)methyl)carbamoyl)methoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.