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CAS 1231930-43-0 1H-Benzimidazole, 6-(2-chloro-5-fluoro-4-pyrimidinyl)-1-cyclopropyl-4-fluoro-2-methyl- molecular structure lightbox
CAS RN: 1231930-43-0

1H-Benzimidazole, 6-(2-chloro-5-fluoro-4-pyrimidinyl)-1-cyclopropyl-4-fluoro-2-methyl-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-026822
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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: 5g
  • 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 1231930-43-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

1231930-43-0 / 6-(2-chloro-5-fluoropyrimidin-4-yl)-1-cyclopropyl-4-fluoro-2-methylbenzimidazole

Standard CAS: 1231930-43-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1231930-43-0
Multi CAS
No
Molecular Formula
C15H11ClF2N4
Molecular Weight
320.720000
Exact Mass
320.064030
SMILES
CC1=NC2=C(N1C3CC3)C=C(C=C2F)C4=NC(=NC=C4F)Cl
InChI
InChI=1S/C15H11ClF2N4/c1-7-20-14-10(17)4-8(5-12(14)22(7)9-2-3-9)13-11(18)6-19-15(16)21-13/h4-6,9H,2-3H2,1H3
InChIKey
UAJWWWJGTHFEKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
78.69
TPSA
43.6

LogP / Solubility

WLOGP
4.07
MLOGP
3.59
XLogP3
3.4
Consensus LogP
3.69
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79

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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