CAS RN: 1329488-46-1
O-DesMethyl Mebeverine Acid-d5
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.20250407 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1329488-46-1
- Purity/Analytical Methods: >99.0%
1329488-46-1 / 4-[1-(4-hydroxyphenyl)propan-2-yl-(1,1,2,2,2-pentadeuterioethyl)amino]butanoic acid
Basic Information
CAS
1329488-46-1
Multi CAS
No
Molecular Formula
C15H23NO3
Molecular Weight
270.380000
Exact Mass
270.199177
SMILES
[2H]C([2H])([2H])C([2H])([2H])N(CCCC(=O)O)C(C)CC1=CC=C(C=C1)O
InChI
InChI=1S/C15H23NO3/c1-3-16(10-4-5-15(18)19)12(2)11-13-6-8-14(17)9-7-13/h6-9,12,17H,3-5,10-11H2,1-2H3,(H,18,19)/i1D3,3D2
InChIKey
DJTCBAFIXOMULT-WNWXXORZSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.39
TPSA
60.77
LogP / Solubility
WLOGP
2.51
MLOGP
2.22
XLogP3
0.2
Consensus LogP
1.64
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.43
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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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