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CAS 85-63-2 (R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline molecular structure lightbox
CAS RN: 85-63-2

(R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250731 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS85-63-2
  • Purity/Analytical Methods: >99.0%
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85-63-2 / 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline

Standard CAS: 85-63-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
85-63-2
Multi CAS
Yes
Molecular Formula
C21H27NO4
Molecular Weight
357.400000
Exact Mass
357.194008
InChI
InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3
InChIKey
KGPAYJZAMGEDIQ-UHFFFAOYSA-N

Physical Properties

Melting Point
89 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
101.87
TPSA
40.16

LogP / Solubility

WLOGP
3.49
MLOGP
3.09
XLogP3
3.7
Consensus LogP
3.43
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
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
Yes
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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