(C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x-
TL;DR: (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x- (CAS 68568-49-0) is a chemical compound with molecular formula C21H33NO10 and molecular weight 459.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl prop-2-enoate;N-(hydroxymethyl)prop-2-enamide;2-methylidenebutanedioic acid;2-methylidenebutanoic acid
Also Known As: (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x-, (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x-.x-H3-N, Butyl acrylate, ethyl acrylate, itaconic acid, N-methylolacrylamidepolymer, ammonium salt, Butanedioic acid, methylene-, polymer with butyl 2-propenoate, ethyl 2-propenoate and N-(hydroxymethyl)-2-propenamide, Ethyl acrylate, butyl acrylate, itaconic acid, N-methylolacrylamide polymer
| Molecular Formula | C21H33NO10 |
|---|---|
| Molecular Weight | 459.21 g/mol |
| LogP | 1.8932 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 459.21045 |
| Heavy Atoms | 32 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 68568-49-0 |
|---|---|
| SMILES | CCCCOC(=O)C=C.CCC(=C)C(=O)O.C=CC(=O)NCO.C=C(CC(=O)O)C(=O)O |
| InChIKey | JHMXXPSRHROLIW-UHFFFAOYSA-N |
Product Overview
(C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x- (CAS 68568-49-0), with molecular formula C21H33NO10 and molecular weight 459.21 g/mol. IUPAC: butyl prop-2-enoate;N-(hydroxymethyl)prop-2-enamide;2-methylidenebutanedioic acid;2-methylidenebutanoic acid.
Chemical Property Profile of (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x-
Property Insights of (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x-
The XLogP value of 1.8932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x-. The TPSA of 188.0 Ų indicates high polarity, suggesting (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x- has 5 hydrogen bond donor(s) and 10 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 (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x-?
The CAS number of (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x- is 68568-49-0.
What is the molecular formula of (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x-?
The molecular formula of (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x- is C21H33NO10.
What is the molecular weight of (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x-?
The molecular weight of (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x- is 459.21 g/mol.
Where can I buy (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x-?
You can request a quote for (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C7-H12-O2.C5-H8-O2.C5-H6-O4.C4-H7-N-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.