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CAS 1202359-57-6 D-Tryptophan-d5 molecular structure lightbox
CAS RN: 1202359-57-6

D-Tryptophan-d5

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Batchno.20251217 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1202359-57-6
  • Purity/Analytical Methods: >99.0%
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1202359-57-6 / (2R)-2-amino-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoic acid

DL-Tryptophan | 2-amino-3-(1H-indol-3-yl)propanoic acid | (+-)-Tryptophan

Standard CAS: 1202359-57-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1202359-57-6
Multi CAS
Yes
Molecular Formula
C11H12N2O2
Molecular Weight
209.260000
Exact Mass
209.121261
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])C[C@H](C(=O)O)N)[2H])[2H]
InChI
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1/i1D,2D,3D,4D,6D
InChIKey
QIVBCDIJIAJPQS-BZVPBINISA-N
Synonyms
DL-Tryptophan 2-amino-3-(1H-indol-3-yl)propanoic acid (+-)-Tryptophan Tryptophan, DL TRYPTOPHAN, DL-

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
3
Molar refractivity
57.61
TPSA
79.11

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
-1.1
Consensus LogP
0.34
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17

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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