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CAS 918321-29-6 methyl 6-amino-7-fluoro-3H-benzimidazole-5-carboxylate molecular structure lightbox
CAS RN: 918321-29-6

methyl 6-amino-7-fluoro-3H-benzimidazole-5-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260323 100mg / 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-205281
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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: 1g
  • 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 918321-29-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

918321-29-6 / methyl 6-amino-7-fluoro-3H-benzimidazole-5-carboxylate

Standard CAS: 918321-29-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
918321-29-6
Multi CAS
No
Molecular Formula
C9FH8N3O2
Molecular Weight
209.180000
Exact Mass
209.060055
InChI
InChI=1S/C9H8FN3O2/c1-15-9(14)4-2-5-8(13-3-12-5)6(10)7(4)11/h2-3H,11H2,1H3,(H,12,13)
InChIKey
LXUXJLSSNMPFCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.8
TPSA
81

LogP / Solubility

WLOGP
1.07
MLOGP
0.94
XLogP3
1.3
Consensus LogP
1.1
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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