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CAS 1391438-22-4 (S)-3-P-TOLYL-BETA-ALANINOL HCL molecular structure lightbox
CAS RN: 1391438-22-4

(S)-3-P-TOLYL-BETA-ALANINOL HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-049470
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1391438-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1391438-22-4 / (3S)-3-amino-3-(4-methylphenyl)propan-1-ol;hydrochloride

Standard CAS: 1391438-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391438-22-4
Multi CAS
No
Molecular Formula
C10H16ClNO
Molecular Weight
201.690000
Exact Mass
201.092042
SMILES
CC1=CC=C(C=C1)[C@H](CCO)N.Cl
InChI
InChI=1S/C10H15NO.ClH/c1-8-2-4-9(5-3-8)10(11)6-7-12;/h2-5,10,12H,6-7,11H2,1H3;1H/t10-;/m0./s1
InChIKey
ILHNRULLIZUQSW-PPHPATTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.06
TPSA
46.25

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.67

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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