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CAS 221670-72-0 (R)-4-(1-AMINOETHYL)PHENOL molecular structure lightbox
CAS RN: 221670-72-0

(R)-4-(1-AMINOETHYL)PHENOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250121 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Hebei 5-7 business days Inquiry
  • Product code: SSC-106625
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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 221670-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

221670-72-0 / 4-[(1S)-1-aminoethyl]phenol

Standard CAS: 221670-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221670-72-0
Multi CAS
No
Molecular Formula
C8H11NO
Molecular Weight
137.180000
Exact Mass
137.084064
SMILES
C[C@@H](C1=CC=C(C=C1)O)N
InChI
InChI=1S/C8H11NO/c1-6(9)7-2-4-8(10)5-3-7/h2-6,10H,9H2,1H3/t6-/m0/s1
InChIKey
CDQPLIAKRDYOCB-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.71
TPSA
46.25

LogP / Solubility

WLOGP
1.41
MLOGP
1.23
XLogP3
0.8
Consensus LogP
1.15
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.55

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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