![3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one structure](/static/products/7352/735226-35-4.webp)
3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one
TL;DR: 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one (CAS 735226-35-4) is a chemical compound with molecular formula C11H13NO2S and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]-6-hydroxy-3H-2-benzothiophen-1-one
Also Known As: Benzo[c]thiophen-1 -one,3-[ methyl]-6-hydroxy-, 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one, 3-(dimethylaminomethyl)-6-hydroxy-3H-2-benzothiophen-1-one, BENZO[C]THIOPHEN-1(3H)-ONE, 3-[(DIMETHYLAMINO)METHYL]-6-HYDROXY-, Benzo[c]thiophen-1(3H)-one, 3-[(dimethylamino)methyl]-6-hydroxy- (9CI)
| Molecular Formula | C11H13NO2S |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 1.8819 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.0667 |
| Heavy Atoms | 15 |
| Complexity | 403.57443 |
Chemical Identifiers
| CAS Number | 735226-35-4 |
|---|---|
| SMILES | CN(C)CC1C2=C(C=C(C=C2)O)C(=O)S1 |
Product Overview
3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one (CAS 735226-35-4), with molecular formula C11H13NO2S and molecular weight 223.07 g/mol. IUPAC: 3-[(dimethylamino)methyl]-6-hydroxy-3H-2-benzothiophen-1-one.
Chemical Property Profile of 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one
Property Insights of 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one
The XLogP value of 1.8819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one. With a topological polar surface area (TPSA) of 40.54 Ų, 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one has 1 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-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one?
The CAS number of 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one is 735226-35-4.
What is the molecular formula of 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one?
The molecular formula of 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one is C11H13NO2S.
What is the molecular weight of 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one?
The molecular weight of 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one is 223.07 g/mol.
Where can I buy 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one?
You can request a quote for 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.