CTK5D9940
TL;DR: CTK5D9940 (CAS 74479-75-7) is a chemical compound with molecular formula C22H27ClO2 and molecular weight 358.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
Also Known As: Ro 11503, Ro 11-503, 9-(3-chloro-2,4,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid ethyl ester, ethyl 9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate, 2,4,6,8-Nonatetraenoicacid, 9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethyl-, ethyl ester,(2E,4E,6E,8E)-
| Molecular Formula | C22H27ClO2 |
|---|---|
| Molecular Weight | 358.17 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.16995 |
| Heavy Atoms | 25 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 74479-75-7 |
|---|---|
| SMILES | CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=C(C=C1C)C)Cl)C |
| InChIKey | NXIHLBSXOXSDDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK5D9940 (CAS 74479-75-7), with molecular formula C22H27ClO2 and molecular weight 358.17 g/mol. IUPAC: ethyl 9-(3-chloro-2,4,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate.
Chemical Property Profile of CTK5D9940
Property Insights of CTK5D9940
The XLogP value of 7.5 indicates that CTK5D9940 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, CTK5D9940 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK5D9940 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5D9940?
The CAS number of CTK5D9940 is 74479-75-7.
What is the molecular formula of CTK5D9940?
The molecular formula of CTK5D9940 is C22H27ClO2.
What is the molecular weight of CTK5D9940?
The molecular weight of CTK5D9940 is 358.17 g/mol.
Where can I buy CTK5D9940?
You can request a quote for CTK5D9940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5D9940?
Yes, KEHONG BIO provides custom synthesis services for CTK5D9940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.