[(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox
TL;DR: [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox (CAS 2691-81-8) is a chemical compound with molecular formula C23H21F3O4 and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-oxo-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-16-ylidene]ethyl] acetate
Also Known As: [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox
| Molecular Formula | C23H21F3O4 |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.1392 |
| Heavy Atoms | 30 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 2691-81-8 |
|---|---|
| SMILES | CC(=O)OC(=C1C[C@H]2C3=C(CC[C@@]2(C1=O)C)C4=C(C=C3)C=C(C=C4)OC)C(F)(F)F |
| InChIKey | YIODTVGTQJKFMM-UGKGYDQZSA-N |
Product Overview
[(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox (CAS 2691-81-8), with molecular formula C23H21F3O4 and molecular weight 418.14 g/mol. IUPAC: [2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-oxo-11,12,14,15-tetrahydrocyclopenta[a]phenanthren-16-ylidene]ethyl] acetate.
Chemical Property Profile of [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox
Property Insights of [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox
The XLogP value of 4.7 indicates that [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox has 0 hydrogen bond donor(s) and 7 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 [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox?
The CAS number of [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox is 2691-81-8.
What is the molecular formula of [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox?
The molecular formula of [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox is C23H21F3O4.
What is the molecular weight of [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox?
The molecular weight of [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox is 418.14 g/mol.
Where can I buy [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox?
You can request a quote for [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox?
Yes, KEHONG BIO provides custom synthesis services for [(1Z)-2,2,2-trifluoro-1-[(13S,14S)-3-methoxy-13-methyl-17-ox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.