CAS RN: 6014-30-8
methyldopate
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.20250822 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS6014-30-8
- Purity/Analytical Methods: >99.0%
6014-30-8 / ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
Basic Information
CAS
6014-30-8
Multi CAS
Yes
Molecular Formula
C12H17NO4
Molecular Weight
239.270000
Exact Mass
239.115758
InChI
InChI=1S/C12H17NO4/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8/h4-6,14-15H,3,7,13H2,1-2H3/t12-/m0/s1
InChIKey
SVEBYYWCXTVYCR-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
62.7
TPSA
92.78
LogP / Solubility
WLOGP
0.92
MLOGP
0.82
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-3.53
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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