[email protected]
CAS 1799788-94-5 PF-06683324 molecular structure lightbox
CAS RN: 1799788-94-5

PF-06683324

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1799788-94-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1799788-94-5 / 2-[(3R,4S)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-5-(1-methylimidazol-4-yl)pyridine-3-carboxamide

Standard CAS: 1799788-94-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1799788-94-5
Multi CAS
No
Molecular Formula
C24H23F4N5O4
Molecular Weight
521.500000
Exact Mass
521.168617
SMILES
CN1C=C(N=C1)C2=CC(=C(N=C2)O[C@H]3CCN(C[C@H]3F)C(=O)CC4=CC=C(C=C4)OC(F)(F)F)C(=O)N
InChI
InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20+/m1/s1
InChIKey
XJIIVPVOGYFVME-QUCCMNQESA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
17
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
122.29
TPSA
112.57

LogP / Solubility

WLOGP
3.04
MLOGP
2.71
XLogP3
2.7
Consensus LogP
2.82
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us