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CAS 521284-21-9 (R)-2-((4-Nitrophenethyl)amino)-1-phenylethanol hydrochloride molecular structure lightbox
CAS RN: 521284-21-9

(R)-2-((4-Nitrophenethyl)amino)-1-phenylethanol hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-159223
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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: 5g
  • 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 521284-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

521284-21-9 / (1R)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethanol;hydrochloride

Standard CAS: 521284-21-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
521284-21-9
Multi CAS
Yes
Molecular Formula
C16H19CLN2O3
Molecular Weight
322.780000
Exact Mass
322.108420
InChI
InChI=1S/C16H18N2O3.ClH/c19-16(14-4-2-1-3-5-14)12-17-11-10-13-6-8-15(9-7-13)18(20)21;/h1-9,16-17,19H,10-12H2;1H/t16-;/m0./s1
InChIKey
LUAUJCGKCGBAKA-NTISSMGPSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
88.32
TPSA
75.4

LogP / Solubility

WLOGP
2.88
MLOGP
2.55
XLogP3
2.88
Consensus LogP
2.77
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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