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CAS 63768-20-7 6,7-DIMETHOXY-1-PHENYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE molecular structure lightbox
CAS RN: 63768-20-7

6,7-DIMETHOXY-1-PHENYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE

  • Product code: SSC-173537
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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 63768-20-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

63768-20-7 / 6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

Standard CAS: 63768-20-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63768-20-7
Multi CAS
Yes
Molecular Formula
C17H20CLNO2
Molecular Weight
305.800000
Exact Mass
305.118257
InChI
InChI=1S/C17H19NO2.ClH/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2;/h3-7,10-11,17-18H,8-9H2,1-2H3;1H
InChIKey
XCBCMNDFDVDUDF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.79
TPSA
30.49

LogP / Solubility

WLOGP
3.36
MLOGP
2.97
XLogP3
3.36
Consensus LogP
3.23
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
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)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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