(C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x-
TL;DR: (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x- (CAS 72162-39-1) is a chemical compound with molecular formula C27H46N2O10 and molecular weight 558.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethoxy)ethanol;2-hydroxyethyl prop-2-enoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;oxepan-2-one
Also Known As: (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x-, 2-Hydroxyethyl acrylate isophorone diisocyanate caprolactone diethylene glycol polymer, Caprolactone, diethylene glycol, isophorone diisocyanate, 2-hydroxyethyl acrylate polymer, 2-(2-hydroxyethoxy)ethanol; 2-hydroxyethyl prop-2-enoate; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; oxepan-2-one, 2-Propenoic acid, 2-hydroxyethyl ester, polymer with 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane, 2-oxepanone and 2,2'-oxybis[ethanol]
| Molecular Formula | C27H46N2O10 |
|---|---|
| Molecular Weight | 558.32 g/mol |
| LogP | 2.0421 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 558.31525 |
| Heavy Atoms | 39 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 72162-39-1 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C=CC(=O)OCCO.C1CCC(=O)OCC1.C(COCCO)O |
| InChIKey | RZMIWFHYYLEIDD-UHFFFAOYSA-N |
Product Overview
(C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x- (CAS 72162-39-1), with molecular formula C27H46N2O10 and molecular weight 558.32 g/mol. IUPAC: 2-(2-hydroxyethoxy)ethanol;2-hydroxyethyl prop-2-enoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;oxepan-2-one.
Chemical Property Profile of (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x-
Property Insights of (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x-
The XLogP value of 2.0421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x-. The TPSA of 181.0 Ų indicates high polarity, suggesting (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x- has 3 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 (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x-?
The CAS number of (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x- is 72162-39-1.
What is the molecular formula of (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x-?
The molecular formula of (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x- is C27H46N2O10.
What is the molecular weight of (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x-?
The molecular weight of (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x- is 558.32 g/mol.
Where can I buy (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x-?
You can request a quote for (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)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.C6-H10-O2.C5-H8-O3.C4-H10-O3)x-?
Yes, KEHONG BIO provides custom synthesis services for (C12-H18-N2-O2.C6-H10-O2.C5-H8-O3.C4-H10-O3)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.