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CAS 172971-76-5 MHI-148 molecular structure lightbox
CAS RN: 172971-76-5

MHI-148

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250115 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260530 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251030 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260223 50mg In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-075994
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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: 0.25g, 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 172971-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

172971-76-5 / 6-[(2E)-2-[(2E)-2-[3-[(E)-2-[1-(5-carboxypentyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanoic acid bromide

Standard CAS: 172971-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
172971-76-5
Multi CAS
No
Molecular Formula
C42H52BrClN2O4
Molecular Weight
764.200000
Exact Mass
762.279900
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=CC=CC=C5N4CCCCCC(=O)O)(C)C)/CCC3)Cl)CCCCCC(=O)O)C.[Br-]
InChI
InChI=1S/C42H51ClN2O4.BrH/c1-41(2)32-18-9-11-20-34(32)44(28-13-5-7-22-38(46)47)36(41)26-24-30-16-15-17-31(40(30)43)25-27-37-42(3,4)33-19-10-12-21-35(33)45(37)29-14-6-8-23-39(48)49;/h9-12,18-21,24-27H,5-8,13-17,22-23,28-29H2,1-4H3,(H-,46,47,48,49);1H
InChIKey
SBSLCJXMLMGYFH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
15
H-bond acceptors
3
H-bond donors
2
Molar refractivity
200.32
TPSA
80.85

LogP / Solubility

WLOGP
7.2
MLOGP
6.4
XLogP3
7.2
Consensus LogP
6.93
Log S (ESOL)
-8.3
Class (ESOL)
Insoluble
Log S (Ali)
-11.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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