![3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate structure](/static/products/498/498570-08-4.png)
3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate
TL;DR: 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate (CAS 498570-08-4) is a chemical compound with molecular formula C24H26N2O4 and molecular weight 406.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 4-[[(E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]benzoate
Also Known As: 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate, (E)-isopentyl 4-(2-cyano-3-(5-(2-methylcyclopropyl)furan-2-yl)acrylamido)benzoate, 3-methylbutyl 4-[[(E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]benzoate, 3-methylbutyl 4-{(2E)-2-cyano-3-[5-(2-methylcyclopropyl)(2-furyl)]prop-2-enoyl amino}benzoate
| Molecular Formula | C24H26N2O4 |
|---|---|
| Molecular Weight | 406.19 g/mol |
| LogP | 5.15158 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.18927 |
| Heavy Atoms | 30 |
| Complexity | 979.38 |
Chemical Identifiers
| CAS Number | 498570-08-4 |
|---|---|
| SMILES | CC1CC1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)OCCC(C)C |
Product Overview
3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate (CAS 498570-08-4), with molecular formula C24H26N2O4 and molecular weight 406.19 g/mol. IUPAC: 3-methylbutyl 4-[[(E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]amino]benzoate.
Chemical Property Profile of 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate
Property Insights of 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate
The XLogP value of 5.15158 indicates that 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate. Following Lipinski's Rule of Five, 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate?
The CAS number of 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate is 498570-08-4.
What is the molecular formula of 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate?
The molecular formula of 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate is C24H26N2O4.
What is the molecular weight of 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate?
The molecular weight of 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate is 406.19 g/mol.
Where can I buy 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate?
You can request a quote for 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methylbutyl 4-({(2E)-2-cyano-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.