RefChem:326306
TL;DR: RefChem:326306 (CAS 97874-48-1) is a chemical compound with molecular formula C18H20ClNO2S and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]-6-phenylmethoxy-3H-2-benzothiophen-1-one;hydrochloride
Also Known As: 3-((Dimethylamino)methyl)-6-(phenylmethoxy)benzo(c)thiophen-1(3H)-one hydrochloride, Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-(phenylmethoxy)-, hydrochloride, 3-(dimethylaminomethyl)-6-phenylmethoxy-3H-2-benzothiophen-1-one hydrochloride, 6-(Benzyloxy)-3-[(dimethylamino)methyl]-2-benzothiophen-1(3H)-one--hydrogen chloride (1/1), RefChem:326306
| Molecular Formula | C18H20ClNO2S |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 4.1771 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.09033 |
| Heavy Atoms | 23 |
| Complexity | 675.97675 |
Chemical Identifiers
| CAS Number | 97874-48-1 |
|---|---|
| SMILES | CN(C)CC1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=O)S1.Cl |
Product Overview
RefChem:326306 (CAS 97874-48-1), with molecular formula C18H20ClNO2S and molecular weight 349.09 g/mol. IUPAC: 3-[(dimethylamino)methyl]-6-phenylmethoxy-3H-2-benzothiophen-1-one;hydrochloride.
Chemical Property Profile of RefChem:326306
Property Insights of RefChem:326306
The XLogP value of 4.1771 indicates that RefChem:326306 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, RefChem:326306 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326306 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 RefChem:326306?
The CAS number of RefChem:326306 is 97874-48-1.
What is the molecular formula of RefChem:326306?
The molecular formula of RefChem:326306 is C18H20ClNO2S.
What is the molecular weight of RefChem:326306?
The molecular weight of RefChem:326306 is 349.09 g/mol.
Where can I buy RefChem:326306?
You can request a quote for RefChem:326306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326306?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.