CAS RN: 1369423-51-7
(R)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic 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.20260317 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1369423-51-7
- Purity/Analytical Methods: >99.0%
1369423-51-7 / (2R)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;hydrochloride
Basic Information
CAS
1369423-51-7
Multi CAS
No
Molecular Formula
C10H14ClNO4
Molecular Weight
247.670000
Exact Mass
247.061136
SMILES
C[C@@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N.Cl
InChI
InChI=1S/C10H13NO4.ClH/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;/h2-4,12-13H,5,11H2,1H3,(H,14,15);1H/t10-;/m1./s1
InChIKey
NLRUDGHSXOEXCE-HNCPQSOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
60.95
TPSA
103.78
LogP / Solubility
WLOGP
0.86
MLOGP
0.77
XLogP3
0.86
Consensus LogP
0.83
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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