CAS RN: 700878-19-9
TCN 237 dihydrochloride
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.20260521 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS700878-19-9
- Purity/Analytical Methods: >99.0%
700878-19-9 / 2-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol;hydrochloride
Basic Information
CAS
700878-19-9
Multi CAS
Yes
Molecular Formula
C20H23CLFN3O
Molecular Weight
375.900000
Exact Mass
375.151368
InChI
InChI=1S/C20H22FN3O.2ClH/c21-17-4-2-1-3-15(17)11-14-7-9-24(10-8-14)13-20-22-18-6-5-16(25)12-19(18)23-20;;/h1-6,12,14,25H,7-11,13H2,(H,22,23);2*1H
InChIKey
JYUWGWCFJMDMND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
103.11
TPSA
52.15
LogP / Solubility
WLOGP
4.28
MLOGP
3.79
XLogP3
4.28
Consensus LogP
4.12
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
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)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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