3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one
TL;DR: 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one (CAS 797780-59-7) is a chemical compound with molecular formula C15H13NO2S and molecular weight 271.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)methyl]-1,3-benzothiazol-2-one
Also Known As: 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one, 3-p-anisyl-1,3-benzothiazol-2-one, BAS 08977254, 3-[(4-methoxyphenyl)methyl]-1,3-benzothiazol-2-one, 3-(4-methoxybenzyl)-1,3-benzothiazol-2(3H)-one
| Molecular Formula | C15H13NO2S |
|---|---|
| Molecular Weight | 271.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.0667 |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 797780-59-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=O |
| InChIKey | MHFZFKZXERZAKK-UHFFFAOYSA-N |
Product Overview
3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one (CAS 797780-59-7), with molecular formula C15H13NO2S and molecular weight 271.07 g/mol. IUPAC: 3-[(4-methoxyphenyl)methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one
Property Insights of 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one
The XLogP value of 3.4 indicates that 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one has 0 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 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one?
The CAS number of 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one is 797780-59-7.
What is the molecular formula of 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one?
The molecular formula of 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one is C15H13NO2S.
What is the molecular weight of 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one?
The molecular weight of 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one is 271.07 g/mol.
Where can I buy 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one?
You can request a quote for 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.