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CAS 17585-69-2 L-Phenylalanine hydrochloride molecular structure lightbox
CAS RN: 17585-69-2

L-Phenylalanine hydrochloride

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5 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260602 1g In stock Shanghai, Shandong Inquiry
Batchno.20250715 250mg In stock Shanghai, Guangdong, Hebei Inquiry
Batchno.20250129 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260514 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS17585-69-2
  • Purity/Analytical Methods: >99.0%
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17585-69-2 / (2S)-2-amino-3-phenylpropanoic acid;hydrochloride

Standard CAS: 17585-69-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17585-69-2
Multi CAS
No
Molecular Formula
C9H12ClNO2
Molecular Weight
201.650000
Exact Mass
201.055656
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C9H11NO2.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m0./s1
InChIKey
ZAIZDXVMSSDZFA-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.01
TPSA
63.32

LogP / Solubility

WLOGP
1.06
MLOGP
0.94
XLogP3
1.06
Consensus LogP
1.02
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
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)
-3.2

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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