CAS RN: 60971-91-7
L-5-HYDROXYTRYPTOPHAN METHYL ESTER HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250827 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: starshine_CAS60971-91-7
- Purity/Analytical Methods: >99.0%
60971-91-7 / methyl (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate;hydrochloride
Basic Information
CAS
60971-91-7
Multi CAS
Yes
Molecular Formula
C12H15CLN2O3
Molecular Weight
270.710000
Exact Mass
270.077120
InChI
InChI=1S/C12H14N2O3.ClH/c1-17-12(16)10(13)4-7-6-14-11-3-2-8(15)5-9(7)11;/h2-3,5-6,10,14-15H,4,13H2,1H3;1H/t10-;/m0./s1
InChIKey
GRRAMKXEZLMNOK-PPHPATTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
70.91
TPSA
88.34
LogP / Solubility
WLOGP
1.34
MLOGP
1.19
XLogP3
1.34
Consensus LogP
1.29
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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- Product Code: starshine_CAS60979-68-2
- Purity/Analytical method: >99.0%
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