4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate
TL;DR: 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate (CAS 672297-10-8) is a chemical compound with molecular formula C15H10N2OS and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-isocyanatophenyl)-6-methyl-1,3-benzothiazole
Also Known As: starbld0000288, 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate, 4- PHENYLISOCYANATE, 2-(4-isocyanatophenyl)-6-methyl-1,3-benzothiazole, 4-(6-METHYL-2-BENZOTHIAZOLYL)PHENYLISOCYANATE
| Molecular Formula | C15H10N2OS |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 4.23902 |
| Topological Polar Surface Area | 42.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.0514 |
| Heavy Atoms | 19 |
| Complexity | 783.51575 |
Chemical Identifiers
| CAS Number | 672297-10-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=C=O |
Product Overview
4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate (CAS 672297-10-8), with molecular formula C15H10N2OS and molecular weight 266.05 g/mol. IUPAC: 2-(4-isocyanatophenyl)-6-methyl-1,3-benzothiazole.
Chemical Property Profile of 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate
Property Insights of 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate
The XLogP value of 4.23902 indicates that 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate 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-(6-Methyl-2-benzothiazolyl)phenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate 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-(6-Methyl-2-benzothiazolyl)phenyl isocyanate?
The CAS number of 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate is 672297-10-8.
What is the molecular formula of 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate?
The molecular formula of 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate is C15H10N2OS.
What is the molecular weight of 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate?
The molecular weight of 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate is 266.05 g/mol.
Where can I buy 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate?
You can request a quote for 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-Methyl-2-benzothiazolyl)phenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.