jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP
TL;DR: jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP (CAS 469872-05-7) is a chemical compound with molecular formula C20H19BrN2O2S and molecular weight 430.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-bromo-4-methoxyphenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
Also Known As: jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP, AB00682173-01, (2E)-3-(3-bromo-4-methoxyphenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide, F3097-2635, (E)-3-(3-bromo-4-methoxyphenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
| Molecular Formula | C20H19BrN2O2S |
|---|---|
| Molecular Weight | 430.04 g/mol |
| LogP | 5.16758 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.03506 |
| Heavy Atoms | 26 |
| Complexity | 911.2655 |
Chemical Identifiers
| CAS Number | 469872-05-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)/C=C/C3=CC(=C(C=C3)OC)Br |
Product Overview
jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP (CAS 469872-05-7), with molecular formula C20H19BrN2O2S and molecular weight 430.04 g/mol. IUPAC: (E)-3-(3-bromo-4-methoxyphenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide.
Chemical Property Profile of jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP
Property Insights of jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP
The XLogP value of 5.16758 indicates that jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP. Following Lipinski's Rule of Five, jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP?
The CAS number of jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP is 469872-05-7.
What is the molecular formula of jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP?
The molecular formula of jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP is C20H19BrN2O2S.
What is the molecular weight of jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP?
The molecular weight of jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP is 430.04 g/mol.
Where can I buy jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP?
You can request a quote for jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP?
Yes, KEHONG BIO provides custom synthesis services for jegPa@KUHXFIxHrJJIIEJYQJIIYLEGOQpPQLuMUuPpDIP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.