CAS RN: 742691-70-9
(R)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic 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.20260701 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS742691-70-9
- Purity/Analytical Methods: >99.0%
742691-70-9 / (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoic acid
Basic Information
CAS
742691-70-9
Multi CAS
Yes
Molecular Formula
C11H15NO4
Molecular Weight
225.240000
Exact Mass
225.100108
InChI
InChI=1S/C11H15NO4/c1-15-9-5-3-4-7(11(9)16-2)8(12)6-10(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKey
XZFWLSJPXJTSMZ-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.73
TPSA
81.78
LogP / Solubility
WLOGP
1.18
MLOGP
1.04
XLogP3
-2
Consensus LogP
0.07
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26
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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