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CAS 2250243-23-1 Vonoprazan Fumarate Impurity 6 molecular structure lightbox
CAS RN: 2250243-23-1

Vonoprazan Fumarate Impurity 6

  • Product code: SSC-110058
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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 2250243-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

2250243-23-1 / 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-[[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methyl]-N-methylmethanamine

Standard CAS: 2250243-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2250243-23-1
Multi CAS
No
Molecular Formula
C33H27F2N5O4S2
Molecular Weight
659.700000
Exact Mass
659.147253
SMILES
CN(CC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CN=CC=C3)CC4=CN(C(=C4)C5=CC=CC=C5F)S(=O)(=O)C6=CN=CC=C6
InChI
InChI=1S/C33H27F2N5O4S2/c1-38(20-24-16-32(28-10-2-4-12-30(28)34)39(22-24)45(41,42)26-8-6-14-36-18-26)21-25-17-33(29-11-3-5-13-31(29)35)40(23-25)46(43,44)27-9-7-15-37-19-27/h2-19,22-23H,20-21H2,1H3
InChIKey
UKVKHLPKJULFTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
34
Fraction Csp3
0.09
Rotatable bonds
10
H-bond acceptors
9
Molar refractivity
168.46
TPSA
107.16

LogP / Solubility

WLOGP
5.8
MLOGP
5.16
XLogP3
4.6
Consensus LogP
5.19
Log S (ESOL)
-7.47
Class (ESOL)
Insoluble
Log S (Ali)
-9.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.96
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)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5

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