1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate
TL;DR: 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate (CAS 392236-33-8) is a chemical compound with molecular formula C18H17NO5S and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate
Also Known As: 1,3-benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate, (1,3-benzothiazol-2-yl)methyl 3,4,5-trimethoxybenzoate, benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate, F0289-0149, (1,3-benzothiazol-2-yl)methyl 3,4,5-trianisate
| Molecular Formula | C18H17NO5S |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 3.6791 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.08273 |
| Heavy Atoms | 25 |
| Complexity | 847.36786 |
Chemical Identifiers
| CAS Number | 392236-33-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=NC3=CC=CC=C3S2 |
Product Overview
1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate (CAS 392236-33-8), with molecular formula C18H17NO5S and molecular weight 359.08 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate
Property Insights of 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate
The XLogP value of 3.6791 indicates that 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 7 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 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate?
The CAS number of 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate is 392236-33-8.
What is the molecular formula of 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate?
The molecular formula of 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate is C18H17NO5S.
What is the molecular weight of 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate?
The molecular weight of 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate is 359.08 g/mol.
Where can I buy 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate?
You can request a quote for 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzothiazol-2-ylmethyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.