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CAS 1477-68-5 3-O-Methyldopamine hydrochloride molecular structure lightbox
CAS RN: 1477-68-5

3-O-Methyldopamine hydrochloride

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260124 1ml In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250219 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 1g In stock Shanghai, Shandong Inquiry
Batchno.20251225 250mg In stock Shanghai, Guangdong, Chongqing Inquiry
Batchno.20260312 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 1ml In stock Inquiry
  • Product code: SSC-058248
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 1g, 0.25g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1477-68-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
1g ≥98% 4 In Stock Beijing Inquiry
0.25g ≥98% 2 In Stock Shenzhen Inquiry
10g ≥98% 1 In Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

1477-68-5 / 4-(2-aminoethyl)-2-methoxyphenol;hydrochloride

Standard CAS: 1477-68-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1477-68-5
Multi CAS
No
Molecular Formula
C9H14ClNO2
Molecular Weight
203.660000
Exact Mass
203.071306
SMILES
COC1=C(C=CC(=C1)CCN)O.Cl
InChI
InChI=1S/C9H13NO2.ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H
InChIKey
AWRIOTVUTPLWLF-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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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