4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole
TL;DR: 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole (CAS 857283-94-4) is a chemical compound with molecular formula C11H8N2OS and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-isocyanatophenyl)-2-methyl-1,3-thiazole
Also Known As: 4-(4-isocyanatophenyl)-2-methyl-1,3-thiazole, 3-Pyrrolidin-1-ylbenzaldehyde, Thiazole,4-(4-isocyanatophenyl)-2-methyl-, 4-(4-Isocyanatophenyl)-2-methylthiazole, 4-(2-Methyl-1,3-thiazol-4-yl)phenyl isocyanate
| Molecular Formula | C11H8N2OS |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 3.08582 |
| Topological Polar Surface Area | 42.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.03574 |
| Heavy Atoms | 15 |
| Complexity | 509.63913 |
Chemical Identifiers
| CAS Number | 857283-94-4 |
|---|---|
| SMILES | CC1=NC(=CS1)C2=CC=C(C=C2)N=C=O |
Product Overview
4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole (CAS 857283-94-4), with molecular formula C11H8N2OS and molecular weight 216.04 g/mol. IUPAC: 4-(4-isocyanatophenyl)-2-methyl-1,3-thiazole.
Chemical Property Profile of 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole
Property Insights of 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole
The XLogP value of 3.08582 indicates that 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.32 Ų, 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole 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 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole?
The CAS number of 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole is 857283-94-4.
What is the molecular formula of 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole?
The molecular formula of 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole is C11H8N2OS.
What is the molecular weight of 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole?
The molecular weight of 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole is 216.04 g/mol.
Where can I buy 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole?
You can request a quote for 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.