(C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x-
TL;DR: (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x- (CAS 68610-70-8) is a chemical compound with molecular formula C24H43N3O6 and molecular weight 469.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Also Known As: (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x-, Caprolactam blocked isophorone diisocyanate, trimethylolpropane adduct, epsilon-Caprolactam polymer with isophorone diisocyanate and trimethylol propane, 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, caprolactam-blocked, azepan-2-one; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
| Molecular Formula | C24H43N3O6 |
|---|---|
| Molecular Weight | 469.32 g/mol |
| LogP | 2.2793 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.3152 |
| Heavy Atoms | 33 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 68610-70-8 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C1CCC(=O)NCC1 |
| InChIKey | YZWTXTICMTVIHN-UHFFFAOYSA-N |
Product Overview
(C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x- (CAS 68610-70-8), with molecular formula C24H43N3O6 and molecular weight 469.32 g/mol. IUPAC: azepan-2-one;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane.
Chemical Property Profile of (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x-
Property Insights of (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x-
The XLogP value of 2.2793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x-. The TPSA of 149.0 Ų indicates high polarity, suggesting (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x- has 4 hydrogen bond donor(s) and 8 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 (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x-?
The CAS number of (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x- is 68610-70-8.
What is the molecular formula of (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x-?
The molecular formula of (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x- is C24H43N3O6.
What is the molecular weight of (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x-?
The molecular weight of (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x- is 469.32 g/mol.
Where can I buy (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x-?
You can request a quote for (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)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-H14-O3.C6-H11-N-O)x-?
Yes, KEHONG BIO provides custom synthesis services for (C12-H18-N2-O2.C6-H14-O3.C6-H11-N-O)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.