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CAS 82925-02-8 4-[2-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)ETHYL]-BENZENAMINE molecular structure lightbox
CAS RN: 82925-02-8

4-[2-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)ETHYL]-BENZENAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260115 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-190936
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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 82925-02-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

82925-02-8 / 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline

Standard CAS: 82925-02-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82925-02-8
Multi CAS
Yes
Molecular Formula
C19H24N2O2
Molecular Weight
312.400000
Exact Mass
312.183778
InChI
InChI=1S/C19H24N2O2/c1-22-18-11-15-8-10-21(13-16(15)12-19(18)23-2)9-7-14-3-5-17(20)6-4-14/h3-6,11-12H,7-10,13,20H2,1-2H3
InChIKey
DGOOLMGPMIHRFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
93.09
TPSA
47.72

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
3
Consensus LogP
2.81
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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