(C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x-
TL;DR: (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x- (CAS 68954-65-4) is a chemical compound with molecular formula C24H42N2O7 and molecular weight 470.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;oxepan-2-one
Also Known As: (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x-, Isophorone diisocyanate, trimethylolpropane, polycaprolactone polymer, 2-Oxepanone, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, 2-Oxepanone, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, isocyanate-terminated, Isophorone diisocyanate, epsilon-caprolactone, trimethylolpropane polymer
| Molecular Formula | C24H42N2O7 |
|---|---|
| Molecular Weight | 470.30 g/mol |
| LogP | 2.7063 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.2992 |
| Heavy Atoms | 33 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 68954-65-4 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C1CCC(=O)OCC1 |
| InChIKey | JVCHXKLLOOOFJT-UHFFFAOYSA-N |
Product Overview
(C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x- (CAS 68954-65-4), with molecular formula C24H42N2O7 and molecular weight 470.30 g/mol. IUPAC: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;oxepan-2-one.
Chemical Property Profile of (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x-
Property Insights of (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x-
The XLogP value of 2.7063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x-. The TPSA of 146.0 Ų indicates high polarity, suggesting (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x- has 3 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-H14-O3.C6-H10-O2)x-?
The CAS number of (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x- is 68954-65-4.
What is the molecular formula of (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x-?
The molecular formula of (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x- is C24H42N2O7.
What is the molecular weight of (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x-?
The molecular weight of (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x- is 470.30 g/mol.
Where can I buy (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x-?
You can request a quote for (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)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-H10-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C12-H18-N2-O2.C6-H14-O3.C6-H10-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.