(C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x-
TL;DR: (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x- (CAS 68239-43-0) is a chemical compound with molecular formula C29H48F3NO9 and molecular weight 611.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-(hydroxymethyl)prop-2-enamide;3,3,3-trifluoropropyl 2-methylprop-2-enoate
Also Known As: (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x-, 2-Propenoic acid, 2-methyl-, 2-ethylhexyl ester, polymer with .alpha.-fluoro-.omega.-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene), 2-hydroxyethyl 2-methyl-2-propenoate and N-(hydroxymethyl)-2-propenamide, 2-ethylhexyl 2-methylprop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 3,3,3-trifluoropropyl 2-methylprop-2-enoate, 2-ethylhexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-(hydroxymethyl)prop-2-enamide;3,3,3-trifluoropropyl 2-methylprop-2-enoate, 2-Propenoic acid, 2-methyl-, 2-ethylhexyl ester, polymer with ?-fluoro-?-[2- [(2-methyl-1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene ), 2-hydroxyethyl 2-methyl-2-propenoate and N-(hydroxymethyl)-2-propenamide
| Molecular Formula | C29H48F3NO9 |
|---|---|
| Molecular Weight | 611.33 g/mol |
| LogP | 4.7166 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 611.3281 |
| Heavy Atoms | 42 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 68239-43-0 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C(=C)C.CC(=C)C(=O)OCCC(F)(F)F.CC(=C)C(=O)OCCO.C=CC(=O)NCO |
| InChIKey | JKFYLGMNAMEQJU-UHFFFAOYSA-N |
Product Overview
(C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x- (CAS 68239-43-0), with molecular formula C29H48F3NO9 and molecular weight 611.33 g/mol. IUPAC: 2-ethylhexyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;N-(hydroxymethyl)prop-2-enamide;3,3,3-trifluoropropyl 2-methylprop-2-enoate.
Chemical Property Profile of (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x-
Property Insights of (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x-
The XLogP value of 4.7166 indicates that (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)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-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x-?
The CAS number of (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x- is 68239-43-0.
What is the molecular formula of (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x-?
The molecular formula of (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x- is C29H48F3NO9.
What is the molecular weight of (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x-?
The molecular weight of (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x- is 611.33 g/mol.
Where can I buy (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x-?
You can request a quote for (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-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-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C12-H22-O2.C6-H10-O3.C4-H7-N-O2.2(CF2)mult-C6-H9-F-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.