(C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x-
TL;DR: (C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x- (CAS 71130-72-8) is a chemical compound with molecular formula C20H32N2O6 and molecular weight 396.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl prop-2-enoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane
Also Known As: (C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x-, 2-Hydroxyethyl acrylate isophorone diisocyanate propylene oxide polymer, Isophorone diisocyanate, 2-hydroxyethyl acrylate, propylene oxide polymer, 2-hydroxyethyl prop-2-enoate; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 2-methyloxirane, 2-Propenoic acid, 2-hydroxyethyl ester, polymer with 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane and methyloxirane
| Molecular Formula | C20H32N2O6 |
|---|---|
| Molecular Weight | 396.23 g/mol |
| LogP | 2.356 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.22604 |
| Heavy Atoms | 28 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 71130-72-8 |
|---|---|
| SMILES | CC1CO1.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C=CC(=O)OCCO |
| InChIKey | UKWROHSSYXCVEU-UHFFFAOYSA-N |
Product Overview
(C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x- (CAS 71130-72-8), with molecular formula C20H32N2O6 and molecular weight 396.23 g/mol. IUPAC: 2-hydroxyethyl prop-2-enoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;2-methyloxirane.
Chemical Property Profile of (C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x-
Property Insights of (C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x-
The XLogP value of 2.356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x-. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x-. Following Lipinski's Rule of Five, (C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x- has 1 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.C5-H8-O3.C3-H6-O)x-?
The CAS number of (C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x- is 71130-72-8.
What is the molecular formula of (C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x-?
The molecular formula of (C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x- is C20H32N2O6.
What is the molecular weight of (C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x-?
The molecular weight of (C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x- is 396.23 g/mol.
Where can I buy (C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x-?
You can request a quote for (C12-H18-N2-O2.C5-H8-O3.C3-H6-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.C5-H8-O3.C3-H6-O)x-?
Yes, KEHONG BIO provides custom synthesis services for (C12-H18-N2-O2.C5-H8-O3.C3-H6-O)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.