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CAS 645-33-0 3-HYDROXY-4-METHOXYPHENETHYLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 645-33-0

3-HYDROXY-4-METHOXYPHENETHYLAMINE HYDROCHLORIDE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260406 10g Out of stock Inquiry
Batchno.20250928 1g In stock Inquiry
Batchno.20260101 250mg In stock Inquiry
Batchno.20260104 5g In stock Inquiry
  • Product code: SSC-174239
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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: 10g
  • Available purity: ≥98%
  • 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 645-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry

645-33-0 / 5-(2-aminoethyl)-2-methoxyphenol;hydrochloride

Standard CAS: 645-33-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
645-33-0
Multi CAS
Yes
Molecular Formula
C9H14CLNO2
Molecular Weight
203.660000
Exact Mass
203.071306
InChI
InChI=1S/C9H13NO2.ClH/c1-12-9-3-2-7(4-5-10)6-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H
InChIKey
KAAFITWSSODFMA-UHFFFAOYSA-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
54.67
TPSA
55.48

LogP / Solubility

WLOGP
1.32
MLOGP
1.17
XLogP3
1.32
Consensus LogP
1.27
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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