CAS RN: 1863905-38-7
PF-06737007
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251003 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1863905-38-7
- Purity/Analytical Methods: >99.0%
1863905-38-7 / 2-[(3R,4S)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-(2-hydroxy-2-methylpropoxy)benzamide
Basic Information
CAS
1863905-38-7
Multi CAS
No
Molecular Formula
C25H28F4N2O6
Molecular Weight
528.500000
Exact Mass
528.188349
SMILES
CC(C)(COC1=CC(=C(C=C1)C(=O)N)O[C@H]2CCN(C[C@H]2F)C(=O)CC3=CC=C(C=C3)OC(F)(F)F)O
InChI
InChI=1S/C25H28F4N2O6/c1-24(2,34)14-35-17-7-8-18(23(30)33)21(12-17)36-20-9-10-31(13-19(20)26)22(32)11-15-3-5-16(6-4-15)37-25(27,28)29/h3-8,12,19-20,34H,9-11,13-14H2,1-2H3,(H2,30,33)/t19-,20+/m1/s1
InChIKey
AUTGNDRENPBZKA-UXHICEINSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
124.09
TPSA
111.32
LogP / Solubility
WLOGP
3.39
MLOGP
3.03
XLogP3
3.6
Consensus LogP
3.34
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
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
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