(C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x-
TL;DR: (C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x- (CAS 54954-84-6) is a chemical compound with molecular formula C22H38N2O7 and molecular weight 442.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethoxy)ethanol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;oxepan-2-one
Also Known As: (C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x-, Diethylene glycol, epsilon-caprolactone, isophorone diisocyanate polymer, 2-Oxepanone, polymer with 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane and 2,2'-oxybis[ethanol], 2-(2-hydroxyethoxy)ethanol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; oxepan-2-one, 2-Oxepanone, polymer with 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane and 2,2'-oxybis[ethanol]
| Molecular Formula | C22H38N2O7 |
|---|---|
| Molecular Weight | 442.27 g/mol |
| LogP | 2.3342 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.2679 |
| Heavy Atoms | 31 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 54954-84-6 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C1CCC(=O)OCC1.C(COCCO)O |
| InChIKey | VTVNQKNFXLYEGS-UHFFFAOYSA-N |
Product Overview
(C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x- (CAS 54954-84-6), with molecular formula C22H38N2O7 and molecular weight 442.27 g/mol. IUPAC: 2-(2-hydroxyethoxy)ethanol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;oxepan-2-one.
Chemical Property Profile of (C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x-
Property Insights of (C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x-
The XLogP value of 2.3342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x-. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x-. Following Lipinski's Rule of Five, (C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x- has 2 hydrogen bond donor(s) and 9 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-H10-O2.C4-H10-O3)x-?
The CAS number of (C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x- is 54954-84-6.
What is the molecular formula of (C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x-?
The molecular formula of (C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x- is C22H38N2O7.
What is the molecular weight of (C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x-?
The molecular weight of (C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x- is 442.27 g/mol.
Where can I buy (C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x-?
You can request a quote for (C12-H18-N2-O2.C6-H10-O2.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.C4-H10-O3)x-?
Yes, KEHONG BIO provides custom synthesis services for (C12-H18-N2-O2.C6-H10-O2.C4-H10-O3)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.