CTK1H2104
TL;DR: CTK1H2104 (CAS 58189-27-8) is a chemical compound with molecular formula C24H37NO7 and molecular weight 451.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2S,4aR,4bS,8R,8aS,9R,10aR)-2,9-dihydroxy-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-10-oxo-2,3,4,4b,5,6,8,8a,9,10a-decahydrophenanthrene-1-carboxylate
Also Known As: methyl (1R,2S,4aR,4bS,7E,8R,8aS,9R,10aR)-2,9-dihydroxy-1,4a,8-trimethyl-7-(2-methylaminoethoxycarbonylmethylidene)-10-oxo-2,3,4,4b,5,6,8,8a,9,10a-decahydrophenanthrene-1-carboxylate
| Molecular Formula | C24H37NO7 |
|---|---|
| Molecular Weight | 451.26 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.257 |
| Heavy Atoms | 32 |
| Complexity | 795.0 |
Chemical Identifiers
| CAS Number | 58189-27-8 |
|---|---|
| SMILES | C[C@@H]1[C@H]2[C@H](CCC1=CC(=O)OCCNC)[C@]3(CC[C@@H]([C@]([C@@H]3C(=O)[C@@H]2O)(C)C(=O)OC)O)C |
| InChIKey | YQNVHQBNMDNXCT-CWAYDDMJSA-N |
Product Overview
CTK1H2104 (CAS 58189-27-8), with molecular formula C24H37NO7 and molecular weight 451.26 g/mol. IUPAC: methyl (1R,2S,4aR,4bS,8R,8aS,9R,10aR)-2,9-dihydroxy-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-10-oxo-2,3,4,4b,5,6,8,8a,9,10a-decahydrophenanthrene-1-carboxylate.
Chemical Property Profile of CTK1H2104
Property Insights of CTK1H2104
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK1H2104. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK1H2104. Following Lipinski's Rule of Five, CTK1H2104 has 3 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 CTK1H2104?
The CAS number of CTK1H2104 is 58189-27-8.
What is the molecular formula of CTK1H2104?
The molecular formula of CTK1H2104 is C24H37NO7.
What is the molecular weight of CTK1H2104?
The molecular weight of CTK1H2104 is 451.26 g/mol.
Where can I buy CTK1H2104?
You can request a quote for CTK1H2104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1H2104?
Yes, KEHONG BIO provides custom synthesis services for CTK1H2104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.