(C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x-
TL;DR: (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x- (CAS 66072-22-8) is a chemical compound with molecular formula C32H46N4O6 and molecular weight 582.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,3-diene;1,3-diisocyanato-2-methylbenzene;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methylhexane-1,3-diol
Also Known As: (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x-, 1,3-Hexanediol, 2-methyl-, polymer with 1,3-butadiene, 1,3-diisocyanatomethylbenzene and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, 1,3-Hexanediol, 2-methyl-, polymer with 1,3-butadiene, 1,3-diisocyanatomethylbenzene and 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane, buta-1,3-diene; 1,3-diisocyanato-2-methylbenzene; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 2-methylhexane-1,3-diol
| Molecular Formula | C32H46N4O6 |
|---|---|
| Molecular Weight | 582.34 g/mol |
| LogP | 6.30682 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 582.34174 |
| Heavy Atoms | 42 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 66072-22-8 |
|---|---|
| SMILES | CCCC(C(C)CO)O.CC1=C(C=CC=C1N=C=O)N=C=O.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C=CC=C |
| InChIKey | YSPQPKHLXBFMOY-UHFFFAOYSA-N |
Product Overview
(C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x- (CAS 66072-22-8), with molecular formula C32H46N4O6 and molecular weight 582.34 g/mol. IUPAC: buta-1,3-diene;1,3-diisocyanato-2-methylbenzene;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methylhexane-1,3-diol.
Chemical Property Profile of (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x-
Property Insights of (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x-
The XLogP value of 6.30682 indicates that (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x- has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x-?
The CAS number of (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x- is 66072-22-8.
What is the molecular formula of (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x-?
The molecular formula of (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x- is C32H46N4O6.
What is the molecular weight of (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x-?
The molecular weight of (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x- is 582.34 g/mol.
Where can I buy (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x-?
You can request a quote for (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x-?
Yes, KEHONG BIO provides custom synthesis services for (C12-H18-N2-O2.C9-H6-N2-O2.C7-H16-O2.C4-H6)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.