![5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide structure](/static/products/4450/445023-35-8.webp)
5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
TL;DR: 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide (CAS 445023-35-8) is a chemical compound with molecular formula C22H14BrClFN3O3S and molecular weight 532.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
Also Known As: 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide, 5-bromo-N-(4-{N-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-furamide, 5-bromo-N-{4-[(1E)-1-{2-[(3-chloro-6-fluoro-1-benzothiophen-2-yl)carbonyl]hydrazinylidene}ethyl]phenyl}furan-2-carboxamide, N-((1E)-2-{4-[(5-bromo(2-furyl))carbonylamino]phenyl}-1-azaprop-1-enyl)(3-chlo ro-6-fluorobenzo[b]thiophen-2-yl)carboxamide
| Molecular Formula | C22H14BrClFN3O3S |
|---|---|
| Molecular Weight | 532.96 g/mol |
| LogP | 6.4556 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.9612 |
| Heavy Atoms | 32 |
| Complexity | 1364.7686 |
Chemical Identifiers
| CAS Number | 445023-35-8 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl)/C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br |
Product Overview
5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide (CAS 445023-35-8), with molecular formula C22H14BrClFN3O3S and molecular weight 532.96 g/mol. IUPAC: 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide.
Chemical Property Profile of 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
Property Insights of 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
The XLogP value of 6.4556 indicates that 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide. Following Lipinski's Rule of Five, 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide has 2 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 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The CAS number of 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is 445023-35-8.
What is the molecular formula of 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The molecular formula of 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is C22H14BrClFN3O3S.
What is the molecular weight of 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The molecular weight of 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is 532.96 g/mol.
Where can I buy 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
You can request a quote for 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-[4-[(E)-N-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.