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CAS 202407-26-9 L-4-HYDROXYPHENYLALANINE-13C9,15N molecular structure lightbox
CAS RN: 202407-26-9

L-4-HYDROXYPHENYLALANINE-13C9,15N

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260203 25mg Out of stock 20 business days Inquiry
  • Product code: starshine_CAS202407-26-9
  • Purity/Analytical Methods: >99.0%
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202407-26-9 / (2S)-2-(15N)azanyl-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)propanoic acid

Standard CAS: 202407-26-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
202407-26-9
Multi CAS
No
Molecular Formula
C9H11NO3
Molecular Weight
191.120000
Exact Mass
191.101122
SMILES
[13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1[13CH2][13C@@H]([13C](=O)O)[15NH2])O
InChI
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1
InChIKey
OUYCCCASQSFEME-CMLFETTRSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
47.42
TPSA
83.55

LogP / Solubility

WLOGP
0.35
MLOGP
0.3
XLogP3
-2.3
Consensus LogP
-0.55
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
Class (SILICOS-IT)
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)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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