2-(Aminophenylmethylene)benzo(b)thiophene-3-one
TL;DR: 2-(Aminophenylmethylene)benzo(b)thiophene-3-one (CAS 77946-49-7) is a chemical compound with molecular formula C15H11NOS and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenecarboximidoyl)-1-benzothiophen-3-ol
Also Known As: AF-CX 921XX, AF-CX 921 XX, AF-CX-921-XX, 2-(Aminophenylmethylene)benzo(b)thiophene-3-one, 2-(benzenecarboximidoyl)-1-benzothiophen-3-ol
| Molecular Formula | C15H11NOS |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.05614 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 77946-49-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=N)C2=C(C3=CC=CC=C3S2)O |
| InChIKey | OHUOHBAWAAPIDL-UHFFFAOYSA-N |
Product Overview
2-(Aminophenylmethylene)benzo(b)thiophene-3-one (CAS 77946-49-7), with molecular formula C15H11NOS and molecular weight 253.06 g/mol. IUPAC: 2-(benzenecarboximidoyl)-1-benzothiophen-3-ol.
Chemical Property Profile of 2-(Aminophenylmethylene)benzo(b)thiophene-3-one
Property Insights of 2-(Aminophenylmethylene)benzo(b)thiophene-3-one
The XLogP value of 4.3 indicates that 2-(Aminophenylmethylene)benzo(b)thiophene-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Aminophenylmethylene)benzo(b)thiophene-3-one. Following Lipinski's Rule of Five, 2-(Aminophenylmethylene)benzo(b)thiophene-3-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Aminophenylmethylene)benzo(b)thiophene-3-one?
The CAS number of 2-(Aminophenylmethylene)benzo(b)thiophene-3-one is 77946-49-7.
What is the molecular formula of 2-(Aminophenylmethylene)benzo(b)thiophene-3-one?
The molecular formula of 2-(Aminophenylmethylene)benzo(b)thiophene-3-one is C15H11NOS.
What is the molecular weight of 2-(Aminophenylmethylene)benzo(b)thiophene-3-one?
The molecular weight of 2-(Aminophenylmethylene)benzo(b)thiophene-3-one is 253.06 g/mol.
Where can I buy 2-(Aminophenylmethylene)benzo(b)thiophene-3-one?
You can request a quote for 2-(Aminophenylmethylene)benzo(b)thiophene-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Aminophenylmethylene)benzo(b)thiophene-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Aminophenylmethylene)benzo(b)thiophene-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.