![4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate structure](/static/products/497/497247-50-4.png)
4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate
TL;DR: 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate (CAS 497247-50-4) is a chemical compound with molecular formula C20H21N3O6 and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]carbamate
Also Known As: 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate, (3E)-N-(2H-1,3-BENZODIOXOL-5-YL)-3-[({[(4-METHOXYPHENYL)METHOXY]CARBONYL}AMINO)IMINO]BUTANAMIDE, (E)-4-methoxybenzyl 2-(4-(benzo[d][1,3]dioxol-5-ylamino)-4-oxobutan-2-ylidene)hydrazinecarboxylate
| Molecular Formula | C20H21N3O6 |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 3.0548 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.14304 |
| Heavy Atoms | 29 |
| Complexity | 910.9326 |
Chemical Identifiers
| CAS Number | 497247-50-4 |
|---|---|
| SMILES | C/C(=N\NC(=O)OCC1=CC=C(C=C1)OC)/CC(=O)NC2=CC3=C(C=C2)OCO3 |
Product Overview
4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate (CAS 497247-50-4), with molecular formula C20H21N3O6 and molecular weight 399.14 g/mol. IUPAC: (4-methoxyphenyl)methyl N-[(E)-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]carbamate.
Chemical Property Profile of 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate
Property Insights of 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate
The XLogP value of 3.0548 indicates that 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate. Following Lipinski's Rule of Five, 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate has 2 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 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate?
The CAS number of 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate is 497247-50-4.
What is the molecular formula of 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate?
The molecular formula of 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate is C20H21N3O6.
What is the molecular weight of 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate?
The molecular weight of 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate is 399.14 g/mol.
Where can I buy 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate?
You can request a quote for 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxybenzyl (2E)-2-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]hydrazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.