CTK1H4643
TL;DR: CTK1H4643 (CAS 58441-58-0) is a chemical compound with molecular formula C22H33NO6 and molecular weight 407.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium;2-methylbut-2-enoate;2-methylidenebutanoic acid;2-methylprop-2-enoic acid;styrene
Also Known As: (C8-H8.C5-H8-O2.C5-H8-O2.C4-H6-O2)x-.x-H3-N, 2-Propenoic acid, 2-methyl-, polymer with ethenylbenzene, ethyl 2-propenoate and methyl 2-methyl-2-propenoate, ammonium salt, Azanium; (E)-2-methylbut-2-enoate; 2-methylidenebutanoic Acid; 2-methylprop-2-enoic Acid; Styrene
| Molecular Formula | C22H33NO6 |
|---|---|
| Molecular Weight | 407.23 g/mol |
| LogP | 4.0926 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.23077 |
| Heavy Atoms | 29 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 58441-58-0 |
|---|---|
| SMILES | CCC(=C)C(=O)O.CC=C(C)C(=O)[O-].CC(=C)C(=O)O.C=CC1=CC=CC=C1.[NH4+] |
| InChIKey | ROGUWRZURHLXKJ-UHFFFAOYSA-N |
Product Overview
CTK1H4643 (CAS 58441-58-0), with molecular formula C22H33NO6 and molecular weight 407.23 g/mol. IUPAC: azanium;2-methylbut-2-enoate;2-methylidenebutanoic acid;2-methylprop-2-enoic acid;styrene.
Chemical Property Profile of CTK1H4643
Property Insights of CTK1H4643
The XLogP value of 4.0926 indicates that CTK1H4643 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK1H4643. Following Lipinski's Rule of Five, CTK1H4643 has 3 hydrogen bond donor(s) and 6 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 CTK1H4643?
The CAS number of CTK1H4643 is 58441-58-0.
What is the molecular formula of CTK1H4643?
The molecular formula of CTK1H4643 is C22H33NO6.
What is the molecular weight of CTK1H4643?
The molecular weight of CTK1H4643 is 407.23 g/mol.
Where can I buy CTK1H4643?
You can request a quote for CTK1H4643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1H4643?
Yes, KEHONG BIO provides custom synthesis services for CTK1H4643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.