(C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x-
TL;DR: (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x- (CAS 86220-50-0) is a chemical compound with molecular formula C26H24N6O6 and molecular weight 516.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-diisocyanatohexane;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene
Also Known As: (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x-, 1,6-Hexamethylene diisocyanate, polymer with 2,4-toluene diisocyanate and 2,6-toluene diisocyanate, Benzene, 1,3-diisocyanato-2-methyl-, polymer with 1,6-diisocyanatohexane and 2,4-diisocyanato-1-methylbenzene, 1,6-diisocyanatohexane; 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene, 1,6-diisocyanatohexane; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene
| Molecular Formula | C26H24N6O6 |
|---|---|
| Molecular Weight | 516.18 g/mol |
| LogP | 5.07764 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 516.1757 |
| Heavy Atoms | 38 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 86220-50-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O.C(CCCN=C=O)CCN=C=O |
| InChIKey | XNHCDPUKNPSLTE-UHFFFAOYSA-N |
Product Overview
(C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x- (CAS 86220-50-0), with molecular formula C26H24N6O6 and molecular weight 516.18 g/mol. IUPAC: 1,6-diisocyanatohexane;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene.
Chemical Property Profile of (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x-
Property Insights of (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x-
The XLogP value of 5.07764 indicates that (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x- has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x-?
The CAS number of (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x- is 86220-50-0.
What is the molecular formula of (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x-?
The molecular formula of (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x- is C26H24N6O6.
What is the molecular weight of (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x-?
The molecular weight of (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x- is 516.18 g/mol.
Where can I buy (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x-?
You can request a quote for (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C9-H6-N2-O2.C9-H6-N2-O2.C8-H12-N2-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.