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CAS 21435-27-8 H-SER-TYR-OH molecular structure lightbox
CAS RN: 21435-27-8

H-SER-TYR-OH

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251101 100mg In stock Shanghai Inquiry
Batchno.20251209 1g In stock Shanghai Inquiry
Batchno.20250523 250mg In stock Shanghai Inquiry
Batchno.20260205 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS21435-27-8
  • Purity/Analytical Methods: >99.0%
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21435-27-8 / (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Standard CAS: 21435-27-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
21435-27-8
Multi CAS
No
Molecular Formula
C12H16N2O5
Molecular Weight
268.270000
Exact Mass
268.105922
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)[C@H](CO)N)O
InChI
InChI=1S/C12H16N2O5/c13-9(6-15)11(17)14-10(12(18)19)5-7-1-3-8(16)4-2-7/h1-4,9-10,15-16H,5-6,13H2,(H,14,17)(H,18,19)/t9-,10-/m0/s1
InChIKey
MALNXHYEPCSPPU-UWVGGRQHSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
5
Molar refractivity
66.44
TPSA
132.88

LogP / Solubility

WLOGP
-1.18
MLOGP
-1.03
XLogP3
-4.5
Consensus LogP
-2.24
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.15
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-5.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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