Vofopitant C-11
TL;DR: Vofopitant C-11 (CAS 462127-34-0) is a chemical compound with molecular formula C21H23F3N6O and molecular weight 431.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-N-[[2-(111C)methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
Also Known As: Vofopitant C-11, Vofopitant [INN], (11C)Gr205171, GR-205171 C-11, [11C]GR205171
| Molecular Formula | C21H23F3N6O |
|---|---|
| Molecular Weight | 431.20 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.19998 |
| Heavy Atoms | 31 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 462127-34-0 |
|---|---|
| SMILES | [11CH3]OC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4 |
| InChIKey | XILNRORTJVDYRH-GQNWDAJUSA-N |
Product Overview
Vofopitant C-11 (CAS 462127-34-0), with molecular formula C21H23F3N6O and molecular weight 431.20 g/mol. IUPAC: (2S,3S)-N-[[2-(111C)methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine.
Chemical Property Profile of Vofopitant C-11
Property Insights of Vofopitant C-11
The XLogP value of 3.1 indicates that Vofopitant C-11 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Vofopitant C-11. Following Lipinski's Rule of Five, Vofopitant C-11 has 2 hydrogen bond donor(s) and 9 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 Vofopitant C-11?
The CAS number of Vofopitant C-11 is 462127-34-0.
What is the molecular formula of Vofopitant C-11?
The molecular formula of Vofopitant C-11 is C21H23F3N6O.
What is the molecular weight of Vofopitant C-11?
The molecular weight of Vofopitant C-11 is 431.20 g/mol.
Where can I buy Vofopitant C-11?
You can request a quote for Vofopitant C-11 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vofopitant C-11?
Yes, KEHONG BIO provides custom synthesis services for Vofopitant C-11 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.