CAS RN: 856620-39-8
O-desmethyl Mebeverine alcohol (hydrochloride)
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.20250206 | 2mg / 5mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS856620-39-8
- Purity/Analytical Methods: >99.0%
856620-39-8 / 4-[2-[ethyl(4-hydroxybutyl)amino]propyl]phenol;hydrochloride
Basic Information
CAS
856620-39-8
Multi CAS
No
Molecular Formula
C15H26CLNO2
Molecular Weight
287.820000
Exact Mass
287.165207
InChI
InChI=1S/C15H25NO2.ClH/c1-3-16(10-4-5-11-17)13(2)12-14-6-8-15(18)9-7-14;/h6-9,13,17-18H,3-5,10-12H2,1-2H3;1H
InChIKey
BWCVTLCWTXRTLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
82.09
TPSA
43.7
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
2.84
Consensus LogP
2.73
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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