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CAS 15462-83-6 6,7-DIMETHOXY-1-(4-METHOXYPHENYL)-3,4-DIHYDROISOQUINOLINE molecular structure lightbox
CAS RN: 15462-83-6

6,7-DIMETHOXY-1-(4-METHOXYPHENYL)-3,4-DIHYDROISOQUINOLINE

  • Product code: SSC-063950
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 15462-83-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 4 In Stock Shenzhen Inquiry
0.25g >95% 4 In Stock Shenzhen Inquiry
1g >95% 4 In Stock Shanghai Inquiry
5g >95% 4 In Stock Shenzhen Inquiry
10g >95% 4 In Stock Beijing Inquiry

15462-83-6 / 6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline

Standard CAS: 15462-83-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15462-83-6
Multi CAS
No
Molecular Formula
C18H19NO3
Molecular Weight
297.300000
Exact Mass
297.136493
SMILES
COC1=CC=C(C=C1)C2=NCCC3=CC(=C(C=C32)OC)OC
InChI
InChI=1S/C18H19NO3/c1-20-14-6-4-12(5-7-14)18-15-11-17(22-3)16(21-2)10-13(15)8-9-19-18/h4-7,10-11H,8-9H2,1-3H3
InChIKey
UQYSBDOHIQHGKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
86.75
TPSA
40.05

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
3.2
Consensus LogP
3.02
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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