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CAS 1684386-71-7 VER-246608 molecular structure lightbox
CAS RN: 1684386-71-7

VER-246608

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250801 100mg In stock Shanghai Inquiry
Batchno.20250111 10mg In stock Shanghai Inquiry
Batchno.20260615 250mg In stock Shanghai Inquiry
Batchno.20260213 25mg In stock Shanghai Inquiry
Batchno.20250501 50mg In stock Shanghai Inquiry
  • Product code: SSC-073405
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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 1684386-71-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1684386-71-7 / N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-[[4-[[(2,2-difluoroacetyl)amino]methyl]phenyl]methyl]-2,4-dihydroxybenzamide

Standard CAS: 1684386-71-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1684386-71-7
Multi CAS
No
Molecular Formula
C28H23ClF2N4O4
Molecular Weight
553.000000
Exact Mass
552.137589
SMILES
CC1=CN=C(N=C1C2=CC=C(C=C2)N(CC3=CC=C(C=C3)CNC(=O)C(F)F)C(=O)C4=C(C=C(C=C4)O)O)Cl
InChI
InChI=1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38)
InChIKey
LCGNLQSOSJFLKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
3
Molar refractivity
141.79
TPSA
115.65

LogP / Solubility

WLOGP
5.24
MLOGP
4.66
XLogP3
5.5
Consensus LogP
5.13
Log S (ESOL)
-6.5
Class (ESOL)
Insoluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
4.5

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