5-(4-Methoxyphenyl)isothiazole
TL;DR: 5-(4-Methoxyphenyl)isothiazole (CAS 10514-28-0) is a chemical compound with molecular formula C10H9NOS and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-1,2-thiazole
Also Known As: 5-(4-methoxyphenyl)isothiazole, 5-(4-methoxyphenyl)-1,2-thiazole, 5-(4-Methoxy-phenyl)-isothiazole, Isothiazole, 5-(4-methoxyphenyl)-, trans-3,5-diphenyl-1-pyrazoline
| Molecular Formula | C10H9NOS |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.04048 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 10514-28-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC=NS2 |
| InChIKey | NCMUGVVJXKADJR-UHFFFAOYSA-N |
Product Overview
5-(4-Methoxyphenyl)isothiazole (CAS 10514-28-0), with molecular formula C10H9NOS and molecular weight 191.04 g/mol. IUPAC: 5-(4-methoxyphenyl)-1,2-thiazole.
Chemical Property Profile of 5-(4-Methoxyphenyl)isothiazole
Property Insights of 5-(4-Methoxyphenyl)isothiazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methoxyphenyl)isothiazole. With a topological polar surface area (TPSA) of 50.4 Ų, 5-(4-Methoxyphenyl)isothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Methoxyphenyl)isothiazole 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 5-(4-Methoxyphenyl)isothiazole?
The CAS number of 5-(4-Methoxyphenyl)isothiazole is 10514-28-0.
What is the molecular formula of 5-(4-Methoxyphenyl)isothiazole?
The molecular formula of 5-(4-Methoxyphenyl)isothiazole is C10H9NOS.
What is the molecular weight of 5-(4-Methoxyphenyl)isothiazole?
The molecular weight of 5-(4-Methoxyphenyl)isothiazole is 191.04 g/mol.
Where can I buy 5-(4-Methoxyphenyl)isothiazole?
You can request a quote for 5-(4-Methoxyphenyl)isothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Methoxyphenyl)isothiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methoxyphenyl)isothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.