Orvepitant
TL;DR: Orvepitant (CAS 579475-18-6) is a chemical compound with molecular formula C31H35F7N4O2 and molecular weight 628.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
Also Known As: Orvepitant, orvepitantum, Orvepitant [INN], Orvepitant [USAN:INN], Orvepitant (USAN/INN)
| Molecular Formula | C31H35F7N4O2 |
|---|---|
| Molecular Weight | 628.26 g/mol |
| LogP | 6.79682 |
| Topological Polar Surface Area | 47.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 628.26483 |
| Heavy Atoms | 44 |
| Complexity | 1380.1162 |
Chemical Identifiers
| CAS Number | 579475-18-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)[C@H]2C[C@H](CCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN5[C@H](C4)CCC5=O |
Product Overview
Orvepitant (CAS 579475-18-6), with molecular formula C31H35F7N4O2 and molecular weight 628.26 g/mol. IUPAC: (2R,4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide.
Chemical Property Profile of Orvepitant
Property Insights of Orvepitant
The XLogP value of 6.79682 indicates that Orvepitant is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.1 Ų, Orvepitant exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Orvepitant has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Orvepitant?
The CAS number of Orvepitant is 579475-18-6.
What is the molecular formula of Orvepitant?
The molecular formula of Orvepitant is C31H35F7N4O2.
What is the molecular weight of Orvepitant?
The molecular weight of Orvepitant is 628.26 g/mol.
Where can I buy Orvepitant?
You can request a quote for Orvepitant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orvepitant?
Yes, KEHONG BIO provides custom synthesis services for Orvepitant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.