1-Tert-butyl-4-isocyanatobenzene
TL;DR: 1-Tert-butyl-4-isocyanatobenzene (CAS 1943-67-5) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-isocyanatobenzene
Also Known As: 4-tert-Butylphenyl isocyanate, 1-tert-butyl-4-isocyanatobenzene, 1-(tert-butyl)-4-isocyanatobenzene, 4-t-butylphenylisocyanate, 4-tert-butylPHENylisoCYANATE
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.9514 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 326.10306 |
Chemical Identifiers
| CAS Number | 1943-67-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)N=C=O |
Product Overview
1-Tert-butyl-4-isocyanatobenzene (CAS 1943-67-5), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 1-tert-butyl-4-isocyanatobenzene.
Chemical Property Profile of 1-Tert-butyl-4-isocyanatobenzene
Property Insights of 1-Tert-butyl-4-isocyanatobenzene
The XLogP value of 2.9514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-4-isocyanatobenzene. With a topological polar surface area (TPSA) of 29.43 Ų, 1-Tert-butyl-4-isocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-4-isocyanatobenzene has 0 hydrogen bond donor(s) and 2 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-Tert-butyl-4-isocyanatobenzene?
The CAS number of 1-Tert-butyl-4-isocyanatobenzene is 1943-67-5.
What is the molecular formula of 1-Tert-butyl-4-isocyanatobenzene?
The molecular formula of 1-Tert-butyl-4-isocyanatobenzene is C11H13NO.
What is the molecular weight of 1-Tert-butyl-4-isocyanatobenzene?
The molecular weight of 1-Tert-butyl-4-isocyanatobenzene is 175.10 g/mol.
Where can I buy 1-Tert-butyl-4-isocyanatobenzene?
You can request a quote for 1-Tert-butyl-4-isocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-4-isocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-4-isocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.