CAS RN: 174222-78-7
(R)-2-(dimethylamino)-3-phenylpropanoic acid
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.20260412 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS174222-78-7
- Purity/Analytical Methods: >99.0%
174222-78-7 / (2R)-2-(dimethylamino)-3-phenylpropanoic acid
Basic Information
CAS
174222-78-7
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
CN(C)[C@H](CC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C11H15NO2/c1-12(2)10(11(13)14)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKey
HOGIQTACRLIOHC-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.26
TPSA
40.54
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
-0.4
Consensus LogP
0.64
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
Pancixanthone A
- CAS RN: 174232-30-5
- Product Code: starshine_CAS174232-30-5
- Purity/Analytical method: >99.0%
-
SDZ285-428
- CAS RN: 174262-13-6
- Product Code: starshine_CAS174262-13-6
- Purity/Analytical method: >99.0%
-
-
-
