(C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-
TL;DR: (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- (CAS 3850-45-1) is a chemical compound with molecular formula C20H32O8 and molecular weight 400.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl prop-2-enoate;2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;prop-2-enoic acid
Also Known As: (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-, acrylic acid; ethyl prop-2-enoate; 2-methylenehexanoic acid; methyl 2-methylprop-2-enoate, 2-Propenoic acid, 2-methyl-, methyl ester, polymer with butyl 2-propenoate, ethyl 2-propenoate and 2-propenoic acid, Ethyl Prop-2-enoate; 2-methylidenehexanoic Acid; Methyl 2-methylprop-2-enoate; Prop-2-enoic Acid
| Molecular Formula | C20H32O8 |
|---|---|
| Molecular Weight | 400.21 g/mol |
| LogP | 3.5454 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 400.20972 |
| Heavy Atoms | 28 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 3850-45-1 |
|---|---|
| SMILES | CCCCC(=C)C(=O)O.CCOC(=O)C=C.CC(=C)C(=O)OC.C=CC(=O)O |
| InChIKey | BIEJOKCFWNZIRD-UHFFFAOYSA-N |
Product Overview
(C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- (CAS 3850-45-1), with molecular formula C20H32O8 and molecular weight 400.21 g/mol. IUPAC: ethyl prop-2-enoate;2-methylidenehexanoic acid;methyl 2-methylprop-2-enoate;prop-2-enoic acid.
Chemical Property Profile of (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-
Property Insights of (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-
The XLogP value of 3.5454 indicates that (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-. Following Lipinski's Rule of Five, (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- has 2 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 (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-?
The CAS number of (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- is 3850-45-1.
What is the molecular formula of (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-?
The molecular formula of (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- is C20H32O8.
What is the molecular weight of (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-?
The molecular weight of (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x- is 400.21 g/mol.
Where can I buy (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-?
You can request a quote for (C7-H12-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 (C7-H12-O2.C5-H8-O2.C5-H8-O2.C3-H4-O2)x-?
Yes, KEHONG BIO provides custom synthesis services for (C7-H12-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.