2-Isocyanato-1,3,5-triisopropylbenzene
TL;DR: 2-Isocyanato-1,3,5-triisopropylbenzene (CAS 401515-81-9) is a chemical compound with molecular formula C16H23NO and molecular weight 245.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanato-1,3,5-tri(propan-2-yl)benzene
Also Known As: 2,4,6-Triisopropylphenyl isocyanate, 2-isocyanato-1,3,5-triisopropylbenzene, 2-isocyanato-1,3,5-tri(propan-2-yl)benzene, 2-Isocyanato-1,3,5-tris(1-methylethyl)benzene, J1.634.444C
| Molecular Formula | C16H23NO |
|---|---|
| Molecular Weight | 245.18 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.17796 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 401515-81-9 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)N=C=O)C(C)C |
| InChIKey | BOAYBOINRWNWJC-UHFFFAOYSA-N |
Product Overview
2-Isocyanato-1,3,5-triisopropylbenzene (CAS 401515-81-9), with molecular formula C16H23NO and molecular weight 245.18 g/mol. IUPAC: 2-isocyanato-1,3,5-tri(propan-2-yl)benzene.
Chemical Property Profile of 2-Isocyanato-1,3,5-triisopropylbenzene
Property Insights of 2-Isocyanato-1,3,5-triisopropylbenzene
The XLogP value of 6.1 indicates that 2-Isocyanato-1,3,5-triisopropylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 2-Isocyanato-1,3,5-triisopropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyanato-1,3,5-triisopropylbenzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Isocyanato-1,3,5-triisopropylbenzene?
The CAS number of 2-Isocyanato-1,3,5-triisopropylbenzene is 401515-81-9.
What is the molecular formula of 2-Isocyanato-1,3,5-triisopropylbenzene?
The molecular formula of 2-Isocyanato-1,3,5-triisopropylbenzene is C16H23NO.
What is the molecular weight of 2-Isocyanato-1,3,5-triisopropylbenzene?
The molecular weight of 2-Isocyanato-1,3,5-triisopropylbenzene is 245.18 g/mol.
Where can I buy 2-Isocyanato-1,3,5-triisopropylbenzene?
You can request a quote for 2-Isocyanato-1,3,5-triisopropylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyanato-1,3,5-triisopropylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyanato-1,3,5-triisopropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.