环十三烷
TL;DR: 环十三烷 (CAS 295-02-3) is a chemical compound with molecular formula C22H36O9 and molecular weight 444.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环十三烷
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
Also Known As: 2-Propenoic acid, 2-methyl-, polymer with butyl 2-propenoate, 2-hydroxyethyl 2-methyl-2-propenoate and methyl 2-methyl-2-propenoate, butyl prop-2-enoate; 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid, (C7-H12-O2.C6-H10-O3.C5-H8-O2.C4-H6-O2)x-, POLY(BUTYL ACRYLATE-CO-2-HYDROXYETHYL ACRYLATE-CO-METHACRYLIC ACID-METHYL METHACRYLATE)
| Molecular Formula | C22H36O9 |
|---|---|
| Molecular Weight | 444.24 g/mol |
| LogP | 2.9963 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 444.23593 |
| Heavy Atoms | 31 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 295-02-3 |
|---|---|
| SMILES | CCCCOC(=O)C=C.CC(=C)C(=O)O.CC(=C)C(=O)OC.CC(=C)C(=O)OCCO |
| InChIKey | PNQFAMLTIFXYGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环十三烷 (CAS 295-02-3), with molecular formula C22H36O9 and molecular weight 444.24 g/mol. IUPAC: butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.
Chemical Property Profile of 环十三烷
Property Insights of 环十三烷
The XLogP value of 2.9963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环十三烷. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 环十三烷. Following Lipinski's Rule of Five, 环十三烷 has 2 hydrogen bond donor(s) and 9 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 环十三烷?
The CAS number of 环十三烷 is 295-02-3.
What is the molecular formula of 环十三烷?
The molecular formula of 环十三烷 is C22H36O9.
What is the molecular weight of 环十三烷?
The molecular weight of 环十三烷 is 444.24 g/mol.
Where can I buy 环十三烷?
You can request a quote for 环十三烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环十三烷?
Yes, KEHONG BIO provides custom synthesis services for 环十三烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.