C26H22Cl2N2O4S
TL;DR: C26H22Cl2N2O4S (CAS 489462-72-8) is a chemical compound with molecular formula C26H22Cl2N2O4S and molecular weight 528.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-ethyl 2-(2-cyano-3-(5-(2,4-dichlorophenyl)furan-2-yl)acrylamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({(2E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[(E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{(2E)-3-[5-(2,4-dichlorophenyl)(2-furyl)]-2-cyanoprop-2-enoylamino}-6- methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C26H22Cl2N2O4S |
|---|---|
| Molecular Weight | 528.07 g/mol |
| LogP | 7.16208 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.06775 |
| Heavy Atoms | 35 |
| Complexity | 1366.0741 |
Chemical Identifiers
| CAS Number | 489462-72-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)/C#N |
Product Overview
C26H22Cl2N2O4S (CAS 489462-72-8), with molecular formula C26H22Cl2N2O4S and molecular weight 528.07 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of C26H22Cl2N2O4S
Property Insights of C26H22Cl2N2O4S
The XLogP value of 7.16208 indicates that C26H22Cl2N2O4S 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 C26H22Cl2N2O4S. Following Lipinski's Rule of Five, C26H22Cl2N2O4S has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C26H22Cl2N2O4S?
The CAS number of C26H22Cl2N2O4S is 489462-72-8.
What is the molecular formula of C26H22Cl2N2O4S?
The molecular formula of C26H22Cl2N2O4S is C26H22Cl2N2O4S.
What is the molecular weight of C26H22Cl2N2O4S?
The molecular weight of C26H22Cl2N2O4S is 528.07 g/mol.
Where can I buy C26H22Cl2N2O4S?
You can request a quote for C26H22Cl2N2O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H22Cl2N2O4S?
Yes, KEHONG BIO provides custom synthesis services for C26H22Cl2N2O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.