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CAS 31917-23-4 (2R)-2-AMINO-2-PHENYL-PROPAN-1-OL HCL molecular structure lightbox
CAS RN: 31917-23-4

(2R)-2-AMINO-2-PHENYL-PROPAN-1-OL HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251219 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS31917-23-4
  • Purity/Analytical Methods: >99.0%
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31917-23-4 / (2R)-2-amino-2-phenylpropan-1-ol;hydrochloride

Standard CAS: 31917-23-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31917-23-4
Multi CAS
No
Molecular Formula
C9H14CLNO
Molecular Weight
187.660000
Exact Mass
187.076392
InChI
InChI=1S/C9H13NO.ClH/c1-9(10,7-11)8-5-3-2-4-6-8;/h2-6,11H,7,10H2,1H3;1H/t9-;/m0./s1
InChIKey
HTOKXDKAZQFCHO-FVGYRXGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.32
TPSA
46.25

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.96

Drug-likeness / Medicinal Chemistry

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

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