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CAS 21704-80-3 2-Hydroxy-DL-tryptophan molecular structure lightbox
CAS RN: 21704-80-3

2-Hydroxy-DL-tryptophan

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250606 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS21704-80-3
  • Purity/Analytical Methods: >99.0%
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21704-80-3 / (2S)-2-amino-3-(2-hydroxy-1H-indol-3-yl)propanoic acid

Standard CAS: 21704-80-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21704-80-3
Multi CAS
No
Molecular Formula
C11H12N2O3
Molecular Weight
220.220000
Exact Mass
220.084792
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8,13-14H,5,12H2,(H,15,16)/t8-/m0/s1
InChIKey
VAUYGGXCASQWHK-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
4
Molar refractivity
59.28
TPSA
99.34

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
-1.3
Consensus LogP
0.09
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
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)
-3.48

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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