Trimethylhexa-1,6-diyl diisocyanate
TL;DR: Trimethylhexa-1,6-diyl diisocyanate (CAS 34992-02-4) is a chemical compound with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-diisocyanato-5,6-dimethylheptane
Also Known As: Trimethylhexamethylene diisocyanate, Hexane, 1,6-diisocyanatotrimethyl-, 1,6-diisocyanato-5,6-dimethylheptane, Trimethylhexa-1,6-diyl diisocyanate, 1,6-Diisocyanatotrimethylhexane
| Molecular Formula | C11H18N2O2 |
|---|---|
| Molecular Weight | 210.14 g/mol |
| LogP | 2.243 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.13683 |
| Heavy Atoms | 15 |
| Complexity | 274.3125 |
Chemical Identifiers
| CAS Number | 34992-02-4 |
|---|---|
| SMILES | CC(CCCCN=C=O)C(C)(C)N=C=O |
Product Overview
Trimethylhexa-1,6-diyl diisocyanate (CAS 34992-02-4), with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol. IUPAC: 1,6-diisocyanato-5,6-dimethylheptane.
Chemical Property Profile of Trimethylhexa-1,6-diyl diisocyanate
Property Insights of Trimethylhexa-1,6-diyl diisocyanate
The XLogP value of 2.243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylhexa-1,6-diyl diisocyanate. With a topological polar surface area (TPSA) of 58.86 Ų, Trimethylhexa-1,6-diyl diisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylhexa-1,6-diyl diisocyanate 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 Trimethylhexa-1,6-diyl diisocyanate?
The CAS number of Trimethylhexa-1,6-diyl diisocyanate is 34992-02-4.
What is the molecular formula of Trimethylhexa-1,6-diyl diisocyanate?
The molecular formula of Trimethylhexa-1,6-diyl diisocyanate is C11H18N2O2.
What is the molecular weight of Trimethylhexa-1,6-diyl diisocyanate?
The molecular weight of Trimethylhexa-1,6-diyl diisocyanate is 210.14 g/mol.
Where can I buy Trimethylhexa-1,6-diyl diisocyanate?
You can request a quote for Trimethylhexa-1,6-diyl diisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylhexa-1,6-diyl diisocyanate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylhexa-1,6-diyl diisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.