![3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide structure](/static/products/444/444933-47-5.png)
3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide (CAS 444933-47-5) is a chemical compound with molecular formula C28H23ClF2N4O2S2 and molecular weight 584.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide, 3-chloro-N'-[3-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-4-methoxybenzylidene]-6-ethyl-1-benzothiophene-2-carbohydrazide, 3-chloro-N'-{(E)-[3-({[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-6-ethyl-1-benzothiophene-2-carbohydrazide, N-[(1E)-2-(3-{[6-(difluoromethyl)-3-cyano-4-methyl(2-pyridylthio)]methyl}-4-me thoxyphenyl)-1-azavinyl](3-chloro-6-ethylbenzo[b]thiophen-2-yl)carboxamide
| Molecular Formula | C28H23ClF2N4O2S2 |
|---|---|
| Molecular Weight | 584.09 g/mol |
| LogP | 7.6946 |
| Topological Polar Surface Area | 87.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 584.0919 |
| Heavy Atoms | 39 |
| Complexity | 1615.639 |
Chemical Identifiers
| CAS Number | 444933-47-5 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)C(=C(S2)C(=O)N/N=C/C3=CC(=C(C=C3)OC)CSC4=C(C(=CC(=N4)C(F)F)C)C#N)Cl |
Product Overview
3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide (CAS 444933-47-5), with molecular formula C28H23ClF2N4O2S2 and molecular weight 584.09 g/mol. IUPAC: 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide
The XLogP value of 7.6946 indicates that 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide 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 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide is 444933-47-5.
What is the molecular formula of 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide is C28H23ClF2N4O2S2.
What is the molecular weight of 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide is 584.09 g/mol.
Where can I buy 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-6-ethyl-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.