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CAS 103030-70-2 5-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE molecular structure lightbox
CAS RN: 103030-70-2

5-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE

  • Product code: SSC-004468
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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: ≥95%
  • 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 103030-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

103030-70-2 / 5-methoxy-1,2,3,4-tetrahydroisoquinoline

5-Methoxy-1,2,3,4-tetrahydroisoquinoline | 5-Methoxy-1,2,3,4-tetrahydro-isoquinoline | MFCD08544280

Standard CAS: 103030-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103030-70-2
Multi CAS
No
Molecular Formula
C10H13NO
Molecular Weight
163.220000
Exact Mass
163.099714
SMILES
COC1=CC=CC2=C1CCNC2
InChI
InChI=1S/C10H13NO/c1-12-10-4-2-3-8-7-11-6-5-9(8)10/h2-4,11H,5-7H2,1H3
InChIKey
MCJYXDLWQYGCIQ-UHFFFAOYSA-N
Synonyms
5-Methoxy-1,2,3,4-tetrahydroisoquinoline 5-Methoxy-1,2,3,4-tetrahydro-isoquinoline MFCD08544280 CHEMBL70546 5-methoxy-tetrahydroisoquinoline

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.4
TPSA
21.26

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1.3
Consensus LogP
1.27
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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