2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene
TL;DR: 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene (CAS 1040746-36-8) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-isocyanoethyl)-1,3,5-trimethylbenzene
Also Known As: 2-(1-isocyanoethyl)-1,3,5-trimethylbenzene, 2-(1-isocyanoethyl)-1,3,5-trimethyl-benzene
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 3.59215 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 334.87262 |
Chemical Identifiers
| CAS Number | 1040746-36-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(C)[N+]#[C-])C |
Product Overview
2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene (CAS 1040746-36-8), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 2-(1-isocyanoethyl)-1,3,5-trimethylbenzene.
Chemical Property Profile of 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene
Property Insights of 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene
The XLogP value of 3.59215 indicates that 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene has 0 hydrogen bond donor(s) and 0 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 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene?
The CAS number of 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene is 1040746-36-8.
What is the molecular formula of 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene?
The molecular formula of 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene is C12H15N.
What is the molecular weight of 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene?
The molecular weight of 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene is 173.12 g/mol.
Where can I buy 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene?
You can request a quote for 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Isocyanoethyl)-1,3,5-trimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.