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CAS 1456858-58-4 HG-9-91-01 molecular structure lightbox
CAS RN: 1456858-58-4

HG-9-91-01

Product Availability

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10 package records9 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260119 100mg In stock Shanghai Inquiry
Batchno.20250324 10mg In stock Shanghai Inquiry
Batchno.20250414 25mg In stock Shanghai Inquiry
Batchno.20250919 50mg In stock Shanghai Inquiry
Batchno.20250502 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251031 2mg / 5mg / 25mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250620 100mg In stock Inquiry
Batchno.20251206 25mg In stock Inquiry
Batchno.20260220 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250225 1ml In stock Inquiry
  • Product code: SSC-056946
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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: 0.1g
  • 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 1456858-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1456858-58-4 / 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea

Standard CAS: 1456858-58-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1456858-58-4
Multi CAS
No
Molecular Formula
C32H37N7O3
Molecular Weight
567.700000
Exact Mass
567.295788
SMILES
CC1=C(C(=CC=C1)C)NC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC=NC(=C3)NC4=CC=C(C=C4)N5CCN(CC5)C
InChI
InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)
InChIKey
UYUHRKLITDJEHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.28
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
168.09
TPSA
95.09

LogP / Solubility

WLOGP
5.98
MLOGP
5.3
XLogP3
5.3
Consensus LogP
5.53
Log S (ESOL)
-7.02
Class (ESOL)
Insoluble
Log S (Ali)
-8.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.27
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)
-1.94

Drug-likeness / Medicinal Chemistry

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

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