CAS RN: 259674-19-6
TRPM8 Antagonist
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.20250626 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS259674-19-6
- Purity/Analytical Methods: >99.0%
259674-19-6 / methyl (2R)-2-(dibenzylamino)-3-(1H-indol-3-yl)propanoate
Basic Information
CAS
259674-19-6
Multi CAS
No
Molecular Formula
C26H26N2O2
Molecular Weight
398.500000
Exact Mass
398.199428
SMILES
COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)N(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C26H26N2O2/c1-30-26(29)25(16-22-17-27-24-15-9-8-14-23(22)24)28(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-15,17,25,27H,16,18-19H2,1H3/t25-/m1/s1
InChIKey
HHVOOJDLCVOLKI-RUZDIDTESA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
119.94
TPSA
45.33
LogP / Solubility
WLOGP
4.95
MLOGP
4.38
XLogP3
5.5
Consensus LogP
4.94
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 259684-36-1 7H-Pyrrolo[2,3-c]pyridin-7-one,1,6-dihydro-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/259684-36-1.png)
