3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one
TL;DR: 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one (CAS 339114-66-8) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one
Also Known As: 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one, 3-oxo-1,3-dihydro-2-benzothiophene-1-carbaldehyde O-methyloxime, 9-(methoxyiminomethyl)-8-thiabicyclo[4.3.0]nona-1,3,5-trien-7-one
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 2.2469 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 389.46332 |
Chemical Identifiers
| CAS Number | 339114-66-8 |
|---|---|
| SMILES | CON=CC1C2=CC=CC=C2C(=O)S1 |
Product Overview
3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one (CAS 339114-66-8), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one.
Chemical Property Profile of 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one
Property Insights of 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one
The XLogP value of 2.2469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one. With a topological polar surface area (TPSA) of 38.66 Ų, 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one has 0 hydrogen bond donor(s) and 4 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 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one?
The CAS number of 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one is 339114-66-8.
What is the molecular formula of 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one?
The molecular formula of 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one is C10H9NO2S.
What is the molecular weight of 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one?
The molecular weight of 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one is 207.04 g/mol.
Where can I buy 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one?
You can request a quote for 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(methoxyiminomethyl)-3H-2-benzothiophen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.