![N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide structure](/static/products/445/445246-39-9.png)
N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide
TL;DR: N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide (CAS 445246-39-9) is a chemical compound with molecular formula C22H17ClN4O3S and molecular weight 452.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(E)-N-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
Also Known As: N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide, N-[4-[(E)-N-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide, N-((1E)-2-{4-[(5-methylisoxazol-3-yl)carbonylamino]phenyl}-1-azaprop-1-enyl)(3 -chlorobenzo[b]thiophen-2-yl)carboxamide, N-{4-[(1E)-1-{2-[(3-chloro-1-benzothiophen-2-yl)carbonyl]hydrazinylidene}ethyl]phenyl}-5-methyl-1,2-oxazole-3-carboxamide
| Molecular Formula | C22H17ClN4O3S |
|---|---|
| Molecular Weight | 452.07 g/mol |
| LogP | 5.25742 |
| Topological Polar Surface Area | 96.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.07098 |
| Heavy Atoms | 31 |
| Complexity | 1308.052 |
Chemical Identifiers
| CAS Number | 445246-39-9 |
|---|---|
| SMILES | CC1=CC(=NO1)C(=O)NC2=CC=C(C=C2)/C(=N/NC(=O)C3=C(C4=CC=CC=C4S3)Cl)/C |
Product Overview
N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide (CAS 445246-39-9), with molecular formula C22H17ClN4O3S and molecular weight 452.07 g/mol. IUPAC: N-[4-[(E)-N-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.
Chemical Property Profile of N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide
Property Insights of N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide
The XLogP value of 5.25742 indicates that N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide. Following Lipinski's Rule of Five, N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide has 2 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 N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide?
The CAS number of N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide is 445246-39-9.
What is the molecular formula of N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide?
The molecular formula of N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide is C22H17ClN4O3S.
What is the molecular weight of N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide?
The molecular weight of N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide is 452.07 g/mol.
Where can I buy N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide?
You can request a quote for N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-{N-[(3-chloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-3-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.