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CAS 71666-94-9 H-D-PHE-NH2 HCL molecular structure lightbox
CAS RN: 71666-94-9

H-D-PHE-NH2 HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250408 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS71666-94-9
  • Purity/Analytical Methods: >99.0%
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71666-94-9 / 2-amino-3-phenylpropanamide;hydrochloride

Standard CAS: 71666-94-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71666-94-9
Multi CAS
Yes
Molecular Formula
C9H13CLN2O
Molecular Weight
200.660000
Exact Mass
200.071641
InChI
InChI=1S/C9H12N2O.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H2,11,12);1H
InChIKey
KLHLGTPNBQXSJT-UHFFFAOYSA-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
54.56
TPSA
69.11

LogP / Solubility

WLOGP
0.46
MLOGP
0.41
XLogP3
0.46
Consensus LogP
0.44
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
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)
-3.61

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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