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CAS 1129403-56-0 BBI-503(BB-503) molecular structure lightbox
CAS RN: 1129403-56-0

BBI-503(BB-503)

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13 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250417 100mg In stock Shanghai Inquiry
Batchno.20251213 10mg In stock Shanghai Inquiry
Batchno.20250506 1g Out of stock Inquiry
Batchno.20251004 1mg / 5mg / 25mg Confirm by inquiry Shanghai Inquiry
Batchno.20250717 250mg Out of stock Inquiry
Batchno.20260619 25mg In stock Shanghai Inquiry
Batchno.20260430 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 100mg In stock Inquiry
Batchno.20251022 10mg In stock Inquiry
Batchno.20260218 25mg Out of stock Inquiry
Batchno.20250211 50mg In stock Inquiry
Batchno.20251129 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250329 1ml In stock Inquiry
  • Product code: SSC-013203
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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 1129403-56-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1129403-56-0 / N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

Amcasertib | BBI503 | GLY8ABW25V

Standard CAS: 1129403-56-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1129403-56-0
Multi CAS
Yes
Molecular Formula
C31H33N5O2S
Molecular Weight
539.700000
Exact Mass
539.235496
SMILES
CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)C4=CSC(=N4)C5=CC=CC=C5)NC2=O)C
InChI
InChI=1S/C31H33N5O2S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)/b24-17-
InChIKey
QDWKGEFGLQMDAM-ULJHMMPZSA-N
Synonyms
Amcasertib BBI503 GLY8ABW25V BBI-503 1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((1,2-dihydro-2-oxo-5-(2-phenyl-4-thiazolyl)-3H-indol-3-ylidene)methyl)-2,4-dimethyl-

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
22
Fraction Csp3
0.26
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
159.87
TPSA
90.12

LogP / Solubility

WLOGP
5.99
MLOGP
5.31
XLogP3
4.9
Consensus LogP
5.4
Log S (ESOL)
-6.78
Class (ESOL)
Insoluble
Log S (Ali)
-8.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.22
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)
-1.76

Drug-likeness / Medicinal Chemistry

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

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