3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one
TL;DR: 3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one (CAS 797780-58-6) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dimethoxyphenyl)methyl]-1,3-benzothiazol-2-one
Also Known As: 3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one, BAS 08977246, 3-(3,4-dimethoxybenzyl)benzo[d]thiazol-2(3H)-one, 3-(3,4-dimethoxybenzyl)-1,3-benzothiazol-2(3H)-one, AT-057/42796538
| Molecular Formula | C16H15NO3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.07727 |
| Heavy Atoms | 21 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 797780-58-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2C3=CC=CC=C3SC2=O)OC |
| InChIKey | HTMUXRBZBDQVEA-UHFFFAOYSA-N |
Product Overview
3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one (CAS 797780-58-6), with molecular formula C16H15NO3S and molecular weight 301.08 g/mol. IUPAC: 3-[(3,4-dimethoxyphenyl)methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one
Property Insights of 3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one
The XLogP value of 3.3 indicates that 3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-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-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one?
The CAS number of 3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one is 797780-58-6.
What is the molecular formula of 3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one?
The molecular formula of 3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one is C16H15NO3S.
What is the molecular weight of 3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one?
The molecular weight of 3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one is 301.08 g/mol.
Where can I buy 3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one?
You can request a quote for 3-(3,4-Dimethoxy-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-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxy-benzyl)-3H-benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.