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CAS 2375564-55-7 ACBI1 molecular structure lightbox
CAS RN: 2375564-55-7

ACBI1

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260521 10mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251001 100mg In stock Shanghai Inquiry
Batchno.20251003 250mg Out of stock Inquiry
Batchno.20260507 25mg In stock Shanghai Inquiry
Batchno.20260302 50mg In stock Shanghai Inquiry
  • Product code: SSC-115501
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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 2375564-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

2375564-55-7 / (2S,4R)-N-[[2-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide

Standard CAS: 2375564-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2375564-55-7
Multi CAS
No
Molecular Formula
C49H58FN9O7S
Molecular Weight
936.100000
Exact Mass
935.416395
SMILES
CC1=C(SC=N1)C2=CC(=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O)OCCOC5=CC=C(C=C5)CN6CCN(CC6)C7=CC(=NN=C7N)C8=CC=CC=C8O
InChI
InChI=1S/C49H58FN9O7S/c1-30-42(67-29-53-30)32-11-12-33(26-52-45(62)39-24-34(60)28-59(39)46(63)43(48(2,3)4)54-47(64)49(50)15-16-49)41(23-32)66-22-21-65-35-13-9-31(10-14-35)27-57-17-19-58(20-18-57)38-25-37(55-56-44(38)51)36-7-5-6-8-40(36)61/h5-14,23,25,29,34,39,43,60-61H,15-22,24,26-28H2,1-4H3,(H2,51,56)(H,52,62)(H,54,64)/t34-,39+,43-/m1/s1
InChIKey
IVARZBJJMMUJHI-SQKKEFIPSA-N

Computed Properties

Structural Parameters

Heavy atom count
67
Aromatic heavy atom count
29
Fraction Csp3
0.43
Rotatable bonds
16
H-bond acceptors
14
H-bond donors
5
Molar refractivity
253.18
TPSA
208.6

LogP / Solubility

WLOGP
5.25
MLOGP
4.71
XLogP3
5
Consensus LogP
4.99
Log S (ESOL)
-8.22
Class (ESOL)
Insoluble
Log S (Ali)
-11.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.03
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.7

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
8

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