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CAS 141448-55-7 (S)-1-Phenylbut-3-en-2-amine hydrochloride molecular structure lightbox
CAS RN: 141448-55-7

(S)-1-Phenylbut-3-en-2-amine hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250927 1g / 5g / 10g Confirm by inquiry Shanghai 3-5 business days Inquiry
  • Product code: starshine_CAS141448-55-7
  • Purity/Analytical Methods: >99.0%
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141448-55-7 / (2S)-1-phenylbut-3-en-2-amine;hydrochloride

Standard CAS: 141448-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
141448-55-7
Multi CAS
No
Molecular Formula
C10H14ClN
Molecular Weight
183.680000
Exact Mass
183.081477
SMILES
C=C[C@H](CC1=CC=CC=C1)N.Cl
InChI
InChI=1S/C10H13N.ClH/c1-2-10(11)8-9-6-4-3-5-7-9;/h2-7,10H,1,8,11H2;1H/t10-;/m1./s1
InChIKey
GMQARJHXPFBJRD-HNCPQSOCSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.57
TPSA
26.02

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
2.16
Consensus LogP
2.07
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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