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CAS 912999-49-6 (2,4-dihydroxy-5-isopropylphenyl)(5-((4-Methylpiperazin-1-yl)Methyl)isoindolin-2-yl)Methanone molecular structure lightbox
CAS RN: 912999-49-6

(2,4-dihydroxy-5-isopropylphenyl)(5-((4-Methylpiperazin-1-yl)Methyl)isoindolin-2-yl)Methanone

Product Availability

Choose a grade to view its available package options.

10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251030 100mg In stock Inquiry
Batchno.20250318 10mg In stock Inquiry
Batchno.20250512 250mg In stock Inquiry
Batchno.20250710 50mg In stock Inquiry
Batchno.20250225 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260207 100mg In stock Shanghai Inquiry
Batchno.20250131 250mg In stock Shanghai Inquiry
Batchno.20260624 25mg Out of stock Inquiry
Batchno.20260328 50mg In stock Shanghai Inquiry
Batchno.20251001 5mg / 10mg / 50mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-204252
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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
  • 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 912999-49-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

912999-49-6 / (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone

Standard CAS: 912999-49-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
912999-49-6
Multi CAS
Yes
Molecular Formula
C24H31N3O3
Molecular Weight
409.500000
Exact Mass
409.236542
InChI
InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3
InChIKey
IFRGXKKQHBVPCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
116.65
TPSA
67.25

LogP / Solubility

WLOGP
3.12
MLOGP
2.77
XLogP3
3.1
Consensus LogP
3
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
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
Yes
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

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

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