![[4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate structure](/static/products/930/930764-00-4.png)
[4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
TL;DR: [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate (CAS 930764-00-4) is a chemical compound with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
Also Known As: [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate|[4-[(E)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate|4-{2-cyano-2-[(prop-2-en-1-yl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenyl 4-methylbenzene-1-sulfonate|4-methylbenzenesulfonic acid [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester|4-methylbenzenesulfonic acid [4-[(E)-3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester|MLS000375331|SMR000254584|cid_2688721|EN300-26589608
| Molecular Formula | C21H20N2O5S |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 2.9805 |
| Topological Polar Surface Area | 105.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.10928 |
| Heavy Atoms | 29 |
| Complexity | 1081.0448 |
Chemical Identifiers
| CAS Number | 930764-00-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC=C)OC |
Product Overview
[4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate (CAS 930764-00-4), with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol. IUPAC: [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
Property Insights of [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
The XLogP value of 2.9805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate. The TPSA of 105.49 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate has 1 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 [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate?
The CAS number of [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate is 930764-00-4.
What is the molecular formula of [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate?
The molecular formula of [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate is C21H20N2O5S.
What is the molecular weight of [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate?
The molecular weight of [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate is 412.11 g/mol.
Where can I buy [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate?
You can request a quote for [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.