CTK1C5538
TL;DR: CTK1C5538 (CAS 35001-25-3) is a chemical compound with molecular formula C17H22O4 and molecular weight 290.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] acetate
Also Known As: [(1S,9R,10R)-3,7-dimethyl-11-methylidene-12-oxo-13-oxabicyclo[8.3.0]trideca-3,7-dien-9-yl] acetate
| Molecular Formula | C17H22O4 |
|---|---|
| Molecular Weight | 290.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.1518 |
| Heavy Atoms | 21 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 35001-25-3 |
|---|---|
| SMILES | CC1=C[C@H]([C@H]2[C@H](CC(=CCC1)C)OC(=O)C2=C)OC(=O)C |
| InChIKey | ORJVLIMAQARNOU-PMPSAXMXSA-N |
Product Overview
CTK1C5538 (CAS 35001-25-3), with molecular formula C17H22O4 and molecular weight 290.15 g/mol. IUPAC: [(3aR,4R,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] acetate.
Chemical Property Profile of CTK1C5538
Property Insights of CTK1C5538
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK1C5538. With a topological polar surface area (TPSA) of 52.6 Ų, CTK1C5538 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK1C5538 has 0 hydrogen bond donor(s) and 4 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 CTK1C5538?
The CAS number of CTK1C5538 is 35001-25-3.
What is the molecular formula of CTK1C5538?
The molecular formula of CTK1C5538 is C17H22O4.
What is the molecular weight of CTK1C5538?
The molecular weight of CTK1C5538 is 290.15 g/mol.
Where can I buy CTK1C5538?
You can request a quote for CTK1C5538 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1C5538?
Yes, KEHONG BIO provides custom synthesis services for CTK1C5538 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.