RefChem:326314
TL;DR: RefChem:326314 (CAS 97874-33-4) is a chemical compound with molecular formula C20H21NO5S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[methyl(2-phenylethyl)amino]methyl]-3H-2-benzothiophen-1-one;oxalic acid
Also Known As: 3-((Methyl(2-phenylethyl)amino)methyl)benzo(c)thiophen-1(3H)-one ethanedioate (1:1), Benzo(c)thiophen-1(3H)-one, 3-((methyl(2-phenylethyl)amino)methyl)-, ethanedioate (1:1), 3-[[methyl(2-phenylethyl)amino]methyl]-3H-2-benzothiophen-1-, 3-{[Methyl(2-phenylethyl)amino]methyl}-2-benzothiophen-1(3H)-one ethanedioate, 3-[[methyl(phenethyl)amino]methyl]-3H-2-benzothiophen-1-one; oxalic acid
| Molecular Formula | C20H21NO5S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 2.9448 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.11404 |
| Heavy Atoms | 27 |
| Complexity | 797.0292 |
Chemical Identifiers
| CAS Number | 97874-33-4 |
|---|---|
| SMILES | CN(CCC1=CC=CC=C1)CC2C3=CC=CC=C3C(=O)S2.C(=O)(C(=O)O)O |
Product Overview
RefChem:326314 (CAS 97874-33-4), with molecular formula C20H21NO5S and molecular weight 387.11 g/mol. IUPAC: 3-[[methyl(2-phenylethyl)amino]methyl]-3H-2-benzothiophen-1-one;oxalic acid.
Chemical Property Profile of RefChem:326314
Property Insights of RefChem:326314
The XLogP value of 2.9448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326314. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326314. Following Lipinski's Rule of Five, RefChem:326314 has 2 hydrogen bond donor(s) and 5 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 RefChem:326314?
The CAS number of RefChem:326314 is 97874-33-4.
What is the molecular formula of RefChem:326314?
The molecular formula of RefChem:326314 is C20H21NO5S.
What is the molecular weight of RefChem:326314?
The molecular weight of RefChem:326314 is 387.11 g/mol.
Where can I buy RefChem:326314?
You can request a quote for RefChem:326314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326314?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.