![allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate structure](/static/products/848/848680-41-1.png)
allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
TL;DR: allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate (CAS 848680-41-1) is a chemical compound with molecular formula C26H21ClN2O5S and molecular weight 508.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
Also Known As: allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate, prop-2-en-1-yl 4-(2-chlorophenyl)-3,6-dimethyl-2-[(4-nitrophenyl)carbonyl]-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate, prop-2-enyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
| Molecular Formula | C26H21ClN2O5S |
|---|---|
| Molecular Weight | 508.09 g/mol |
| LogP | 6.40972 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.08597 |
| Heavy Atoms | 35 |
| Complexity | 1391.2236 |
Chemical Identifiers
| CAS Number | 848680-41-1 |
|---|---|
| SMILES | CC1=C(SC2=C1C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CC=C3Cl)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate (CAS 848680-41-1), with molecular formula C26H21ClN2O5S and molecular weight 508.09 g/mol. IUPAC: prop-2-enyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate.
Chemical Property Profile of allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
Property Insights of allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
The XLogP value of 6.40972 indicates that allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate. Following Lipinski's Rule of Five, allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate?
The CAS number of allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate is 848680-41-1.
What is the molecular formula of allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate?
The molecular formula of allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate is C26H21ClN2O5S.
What is the molecular weight of allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate?
The molecular weight of allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate is 508.09 g/mol.
Where can I buy allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate?
You can request a quote for allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 4-(2-chlorophenyl)-3,6-dimethyl-2-(4-nitrobenzoyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.