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CAS 221697-18-3 (R)-2-Amino-2-(4-methoxyphenyl)ethanol hydrochloride molecular structure lightbox
CAS RN: 221697-18-3

(R)-2-Amino-2-(4-methoxyphenyl)ethanol hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251107 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-106650
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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: ≥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 221697-18-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

221697-18-3 / (2R)-2-amino-2-(4-methoxyphenyl)ethanol;hydrochloride

Standard CAS: 221697-18-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221697-18-3
Multi CAS
No
Molecular Formula
C9H14ClNO2
Molecular Weight
203.660000
Exact Mass
203.071306
SMILES
COC1=CC=C(C=C1)[C@H](CO)N.Cl
InChI
InChI=1S/C9H13NO2.ClH/c1-12-8-4-2-7(3-5-8)9(10)6-11;/h2-5,9,11H,6,10H2,1H3;1H/t9-;/m0./s1
InChIKey
MAXXCANBKVBAQQ-FVGYRXGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.26
TPSA
55.48

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
1.11
Consensus LogP
1.07
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-3.17

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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