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CAS 543739-81-7 4-(3-broMophenyl)-6,8-dichloro-2-Methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride molecular structure lightbox
CAS RN: 543739-81-7

4-(3-broMophenyl)-6,8-dichloro-2-Methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251014 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251014 1g / 5g / 10g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-162023
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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: 25g
  • 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 543739-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

543739-81-7 / 4-(3-bromophenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride

Standard CAS: 543739-81-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
543739-81-7
Multi CAS
Yes
Molecular Formula
C16H15BRCL3N
Molecular Weight
407.600000
Exact Mass
404.945350
InChI
InChI=1S/C16H14BrCl2N.ClH/c1-20-8-14(10-3-2-4-11(17)5-10)13-6-12(18)7-16(19)15(13)9-20;/h2-7,14H,8-9H2,1H3;1H
InChIKey
POPXXLXYDOGHOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
96.03
TPSA
3.24

LogP / Solubility

WLOGP
5.76
MLOGP
5.09
XLogP3
5.76
Consensus LogP
5.54
Log S (ESOL)
-6.35
Class (ESOL)
Insoluble
Log S (Ali)
-7.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.12

Drug-likeness / Medicinal Chemistry

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

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