Poly(isophorone diisocyanate)
TL;DR: Poly(isophorone diisocyanate) (CAS 53880-05-0) is a chemical compound with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-diisocyanato-1,3,3-trimethylcyclohexane
Also Known As: IPDI, POLY(ISOPHORONE DIISOCYANATE), 1,5-diisocyanato-1,3,3-trimethylcyclohexane, Poly(isophorone diisocyanate) solution, J1.877.565D
| Molecular Formula | C11H16N2O2 |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 1.9954 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.12119 |
| Heavy Atoms | 15 |
| Complexity | 338.49707 |
Chemical Identifiers
| CAS Number | 53880-05-0 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)N=C=O)N=C=O)C |
Product Overview
Poly(isophorone diisocyanate) (CAS 53880-05-0), with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol. IUPAC: 1,5-diisocyanato-1,3,3-trimethylcyclohexane.
Chemical Property Profile of Poly(isophorone diisocyanate)
Property Insights of Poly(isophorone diisocyanate)
The XLogP value of 1.9954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Poly(isophorone diisocyanate). With a topological polar surface area (TPSA) of 58.86 Ų, Poly(isophorone diisocyanate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Poly(isophorone 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 Poly(isophorone diisocyanate)?
The CAS number of Poly(isophorone diisocyanate) is 53880-05-0.
What is the molecular formula of Poly(isophorone diisocyanate)?
The molecular formula of Poly(isophorone diisocyanate) is C11H16N2O2.
What is the molecular weight of Poly(isophorone diisocyanate)?
The molecular weight of Poly(isophorone diisocyanate) is 208.12 g/mol.
Where can I buy Poly(isophorone diisocyanate)?
You can request a quote for Poly(isophorone diisocyanate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Poly(isophorone diisocyanate)?
Yes, KEHONG BIO provides custom synthesis services for Poly(isophorone diisocyanate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.