KU87YJ5Vbl
TL;DR: KU87YJ5Vbl (CAS 113948-68-8) is a chemical compound with molecular formula C22H31FO2 and molecular weight 345.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-(18F)fluoroacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 18F Fenp, Fenp F-18, FENP, 19-Norpregn-4-ene-3,20-dione, 16-ethyl-21-(fluoro-18F)-, (16alpha)-, (8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-fluoranylacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C22H31FO2 |
|---|---|
| Molecular Weight | 345.23 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.23334 |
| Heavy Atoms | 25 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 113948-68-8 |
|---|---|
| SMILES | CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]2([C@H]1C(=O)C[18F])C |
| InChIKey | XVMNSRXVKUOGOY-RBWILZAPSA-N |
Product Overview
KU87YJ5Vbl (CAS 113948-68-8), with molecular formula C22H31FO2 and molecular weight 345.23 g/mol. IUPAC: (8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-(18F)fluoroacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of KU87YJ5Vbl
Property Insights of KU87YJ5Vbl
The XLogP value of 4.8 indicates that KU87YJ5Vbl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, KU87YJ5Vbl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KU87YJ5Vbl has 0 hydrogen bond donor(s) and 3 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 KU87YJ5Vbl?
The CAS number of KU87YJ5Vbl is 113948-68-8.
What is the molecular formula of KU87YJ5Vbl?
The molecular formula of KU87YJ5Vbl is C22H31FO2.
What is the molecular weight of KU87YJ5Vbl?
The molecular weight of KU87YJ5Vbl is 345.23 g/mol.
Where can I buy KU87YJ5Vbl?
You can request a quote for KU87YJ5Vbl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KU87YJ5Vbl?
Yes, KEHONG BIO provides custom synthesis services for KU87YJ5Vbl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.