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CAS 217645-70-0 BX 471 molecular structure lightbox
CAS RN: 217645-70-0

BX 471

Product Availability

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9 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250909 10mg / 50mg / 100mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260211 100mg Out of stock Inquiry
Batchno.20251126 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20250620 1g Out of stock Inquiry
Batchno.20260205 1mg In stock Shanghai Inquiry
Batchno.20250729 250mg In stock Shenzhen, Chengdu Inquiry
Batchno.20251113 25mg Out of stock Inquiry
Batchno.20250712 50mg Out of stock Inquiry
Batchno.20250221 5mg In stock Shanghai Inquiry
  • Product code: SSC-105056
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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: ≥97%
  • 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 217645-70-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry

217645-70-0 / [5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea

Standard CAS: 217645-70-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
217645-70-0
Multi CAS
No
Molecular Formula
C21H24ClFN4O3
Molecular Weight
434.900000
Exact Mass
434.152097
SMILES
C[C@@H]1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)F
InChI
InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1
InChIKey
XQYASZNUFDVMFH-CQSZACIVSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
113.01
TPSA
87.9

LogP / Solubility

WLOGP
3.08
MLOGP
2.74
XLogP3
2.5
Consensus LogP
2.77
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.19

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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