1-(Isocyanomethyl)-3,5-dimethylbenzene
TL;DR: 1-(Isocyanomethyl)-3,5-dimethylbenzene (CAS 612485-91-3) is a chemical compound with molecular formula C10H11N and molecular weight 145.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(isocyanomethyl)-3,5-dimethylbenzene
Also Known As: 1-(isocyanomethyl)-3,5-dimethylbenzene, 3,5-Dimethylbenzylisocyanide, 1-(isocyanomethyl)-3,5-dimethyl-benzene
| Molecular Formula | C10H11N |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 2.72273 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.08914 |
| Heavy Atoms | 11 |
| Complexity | 273.98135 |
Chemical Identifiers
| CAS Number | 612485-91-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C[N+]#[C-])C |
Product Overview
1-(Isocyanomethyl)-3,5-dimethylbenzene (CAS 612485-91-3), with molecular formula C10H11N and molecular weight 145.09 g/mol. IUPAC: 1-(isocyanomethyl)-3,5-dimethylbenzene.
Chemical Property Profile of 1-(Isocyanomethyl)-3,5-dimethylbenzene
Property Insights of 1-(Isocyanomethyl)-3,5-dimethylbenzene
The XLogP value of 2.72273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Isocyanomethyl)-3,5-dimethylbenzene. With a topological polar surface area (TPSA) of 4.36 Ų, 1-(Isocyanomethyl)-3,5-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Isocyanomethyl)-3,5-dimethylbenzene 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 1-(Isocyanomethyl)-3,5-dimethylbenzene?
The CAS number of 1-(Isocyanomethyl)-3,5-dimethylbenzene is 612485-91-3.
What is the molecular formula of 1-(Isocyanomethyl)-3,5-dimethylbenzene?
The molecular formula of 1-(Isocyanomethyl)-3,5-dimethylbenzene is C10H11N.
What is the molecular weight of 1-(Isocyanomethyl)-3,5-dimethylbenzene?
The molecular weight of 1-(Isocyanomethyl)-3,5-dimethylbenzene is 145.09 g/mol.
Where can I buy 1-(Isocyanomethyl)-3,5-dimethylbenzene?
You can request a quote for 1-(Isocyanomethyl)-3,5-dimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Isocyanomethyl)-3,5-dimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Isocyanomethyl)-3,5-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.