CTK4J6411
TL;DR: CTK4J6411 (CAS 52-74-4) is a chemical compound with molecular formula C22H30O2 and molecular weight 326.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,7R)-2,7-diethynyl-8a,10a-dimethyl-1,3,3a,3b,4,5,5a,6,8,8b,9,10-dodecahydroindeno[5,4-e]indene-2,7-diol
Also Known As: KST-1A5540, (2r,7s)-2,7-diethynyl-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-2,7-diol, 2,16-Diethynyl-a-norandrostane-2,16-diol, (2beta,5alpha,16beta)-, A-Norandrostane-2,16-diol,2,16-diethynyl-, (2b,5a,16b)- (9CI), Dicyclopenta(a,f)naphthalene-2-beta,7-beta-diol, hexadecahydro-2-alpha,7-alpha-diethynyl-8a,10a-dimethyl-
| Molecular Formula | C22H30O2 |
|---|---|
| Molecular Weight | 326.22 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.22458 |
| Heavy Atoms | 24 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 52-74-4 |
|---|---|
| SMILES | CC12CCC3C(C1C[C@](C2)(C#C)O)CCC4C3(C[C@](C4)(C#C)O)C |
| InChIKey | ZTKWJYSIMKRYLD-YSKXXEDASA-N |
Product Overview
CTK4J6411 (CAS 52-74-4), with molecular formula C22H30O2 and molecular weight 326.22 g/mol. IUPAC: (2S,7R)-2,7-diethynyl-8a,10a-dimethyl-1,3,3a,3b,4,5,5a,6,8,8b,9,10-dodecahydroindeno[5,4-e]indene-2,7-diol.
Chemical Property Profile of CTK4J6411
Property Insights of CTK4J6411
The XLogP value of 3.8 indicates that CTK4J6411 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, CTK4J6411 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK4J6411 has 2 hydrogen bond donor(s) and 2 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 CTK4J6411?
The CAS number of CTK4J6411 is 52-74-4.
What is the molecular formula of CTK4J6411?
The molecular formula of CTK4J6411 is C22H30O2.
What is the molecular weight of CTK4J6411?
The molecular weight of CTK4J6411 is 326.22 g/mol.
Where can I buy CTK4J6411?
You can request a quote for CTK4J6411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4J6411?
Yes, KEHONG BIO provides custom synthesis services for CTK4J6411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.