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CAS 13233-00-6 3,4-Dihydro-6,7-diMethoxy-1-(p-Methoxybenzyl)isoquinoline Hydrochloride molecular structure lightbox
CAS RN: 13233-00-6

3,4-Dihydro-6,7-diMethoxy-1-(p-Methoxybenzyl)isoquinoline Hydrochloride

  • Product code: SSC-039271
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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 13233-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

13233-00-6 / 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinoline;hydrochloride

Standard CAS: 13233-00-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13233-00-6
Multi CAS
No
Molecular Formula
C19H22ClNO3
Molecular Weight
347.800000
Exact Mass
347.128821
SMILES
COC1=CC=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OC)OC.Cl
InChI
InChI=1S/C19H21NO3.ClH/c1-21-15-6-4-13(5-7-15)10-17-16-12-19(23-3)18(22-2)11-14(16)8-9-20-17;/h4-7,11-12H,8-10H2,1-3H3;1H
InChIKey
MTBDPUSODLZRIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
98.6
TPSA
40.05

LogP / Solubility

WLOGP
3.72
MLOGP
3.29
XLogP3
3.72
Consensus LogP
3.58
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
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
No
Synthetic Accessibility
2.5

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