![[2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate structure](/static/products/3129/312939-18-7.webp)
[2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate
TL;DR: [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate (CAS 312939-18-7) is a chemical compound with molecular formula C21H12ClNO3S and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate
Also Known As: [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate, 2-[(Z)-(3-oxo-1-benzothien-2(3H)-ylidene)methyl]phenyl 2-chloronicotinate, 2-{[(2Z)-3-OXO-2,3-DIHYDRO-1-BENZOTHIOPHEN-2-YLIDENE]METHYL}PHENYL 2-CHLOROPYRIDINE-3-CARBOXYLATE, 2-[(3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene)methyl]phenyl 2-chloropyridine-3-carboxylate
| Molecular Formula | C21H12ClNO3S |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 5.2837 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.02264 |
| Heavy Atoms | 27 |
| Complexity | 1094.0447 |
Chemical Identifiers
| CAS Number | 312939-18-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C\2/C(=O)C3=CC=CC=C3S2)OC(=O)C4=C(N=CC=C4)Cl |
Product Overview
[2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate (CAS 312939-18-7), with molecular formula C21H12ClNO3S and molecular weight 393.02 g/mol. IUPAC: [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate
Property Insights of [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate
The XLogP value of 5.2837 indicates that [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate has 0 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 [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate?
The CAS number of [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate is 312939-18-7.
What is the molecular formula of [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate?
The molecular formula of [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate is C21H12ClNO3S.
What is the molecular weight of [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate?
The molecular weight of [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate is 393.02 g/mol.
Where can I buy [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate?
You can request a quote for [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.