Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-
TL;DR: Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl- (CAS 68239-06-5) is a chemical compound with molecular formula C38H70N2O2 and molecular weight 586.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-heptyl-1,2-bis(9-isocyanatononyl)-4-pentylcyclohexane
Also Known As: Dimeryl diisocyanate, 2-Heptyl-3,4-bis(9-isocyanatononyl)-1-pentylcyclohexane, Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-, 3-heptyl-1,2-bis(9-isocyanatononyl)-4-pentylcyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-cyclohexane
| Molecular Formula | C38H70N2O2 |
|---|---|
| Molecular Weight | 586.54 g/mol |
| LogP | 18.1 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 30 |
| Exact Mass | 586.5437 |
| Heavy Atoms | 42 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 68239-06-5 |
|---|---|
| SMILES | CCCCCCCC1C(CCC(C1CCCCCCCCCN=C=O)CCCCCCCCCN=C=O)CCCCC |
| InChIKey | AMUBKBXGFDIMDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl- (CAS 68239-06-5), with molecular formula C38H70N2O2 and molecular weight 586.54 g/mol. IUPAC: 3-heptyl-1,2-bis(9-isocyanatononyl)-4-pentylcyclohexane.
Chemical Property Profile of Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-
Property Insights of Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-
The XLogP value of 18.1 indicates that Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-?
The CAS number of Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl- is 68239-06-5.
What is the molecular formula of Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-?
The molecular formula of Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl- is C38H70N2O2.
What is the molecular weight of Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-?
The molecular weight of Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl- is 586.54 g/mol.
Where can I buy Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-?
You can request a quote for Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane, 2-heptyl-3,4-bis(9-isocyanatononyl)-1-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.