![2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/6516/6516-93-4.webp)
2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 6516-93-4) is a chemical compound with molecular formula C26H23BrN2O3S and molecular weight 522.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[({3-Bromo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C26H23BrN2O3S |
|---|---|
| Molecular Weight | 522.06 g/mol |
| LogP | 6.4129 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.0613 |
| Heavy Atoms | 33 |
| Complexity | 1228.5693 |
Chemical Identifiers
| CAS Number | 6516-93-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4)Br)OCC#C |
Product Overview
2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 6516-93-4), with molecular formula C26H23BrN2O3S and molecular weight 522.06 g/mol. IUPAC: 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 6.4129 indicates that 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.92 Ų, 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 1 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-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 6516-93-4.
What is the molecular formula of 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C26H23BrN2O3S.
What is the molecular weight of 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 522.06 g/mol.
Where can I buy 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.