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CAS 1213362-28-7 (R)-3-AMINO-3-(4-CHLORO-PHENYL)-PROPAN-1-OL molecular structure lightbox
CAS RN: 1213362-28-7

(R)-3-AMINO-3-(4-CHLORO-PHENYL)-PROPAN-1-OL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250722 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-023318
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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: 1g
  • Available purity: ≥97%
  • 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 1213362-28-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1213362-28-7 / (3R)-3-amino-3-(4-chlorophenyl)propan-1-ol

3-amino-3-(4-chlorophenyl)propan-1-ol | DTXSID20588754 | RefChem:497120

Standard CAS: 1213362-28-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213362-28-7
Multi CAS
Yes
Molecular Formula
C9H12ClNO
Molecular Weight
185.650000
Exact Mass
185.060742
SMILES
C1=CC(=CC=C1[C@@H](CCO)N)Cl
InChI
InChI=1S/C9H12ClNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1
InChIKey
JGNACDMQJLVKIU-SECBINFHSA-N
Synonyms
3-amino-3-(4-chlorophenyl)propan-1-ol DTXSID20588754 RefChem:497120 DTXCID10539518 845-632-5

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.08
TPSA
46.25

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.1
Consensus LogP
1.44
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.63

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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