(C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-
TL;DR: (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- (CAS 57216-22-5) is a chemical compound with molecular formula C18H29NO8 and molecular weight 387.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(hydroxymethyl)-2-methylprop-2-enamide;2-methylidenebutanoic acid;methyl 2-methylprop-2-enoate;prop-2-enoic acid
Also Known As: (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-, 2-Propenoic acid, 2-methyl-, methyl ester, polymer with ethyl 2-propenoate, N-(hydroxymethyl)-2-methyl-2-propenamide and 2-propenoic acid, N-(hydroxymethyl)-2-methyl-prop-2-enamide; 2-methylidenebutanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid, N-(hydroxymethyl)-2-methylprop-2-enamide; 2-methylidenebutanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid
| Molecular Formula | C18H29NO8 |
|---|---|
| Molecular Weight | 387.19 g/mol |
| LogP | 1.6582 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.18933 |
| Heavy Atoms | 27 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 57216-22-5 |
|---|---|
| SMILES | CCC(=C)C(=O)O.CC(=C)C(=O)NCO.CC(=C)C(=O)OC.C=CC(=O)O |
| InChIKey | LQAYVYHYNFKOSH-UHFFFAOYSA-N |
Product Overview
(C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- (CAS 57216-22-5), with molecular formula C18H29NO8 and molecular weight 387.19 g/mol. IUPAC: N-(hydroxymethyl)-2-methylprop-2-enamide;2-methylidenebutanoic acid;methyl 2-methylprop-2-enoate;prop-2-enoic acid.
Chemical Property Profile of (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-
Property Insights of (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-
The XLogP value of 1.6582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-. The TPSA of 150.0 Ų indicates high polarity, suggesting (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- has 4 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 (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-?
The CAS number of (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- is 57216-22-5.
What is the molecular formula of (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-?
The molecular formula of (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- is C18H29NO8.
What is the molecular weight of (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-?
The molecular weight of (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- is 387.19 g/mol.
Where can I buy (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-?
You can request a quote for (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C5-H9-N-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.