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CAS 3543-73-5 1-Methyl-5-amino-1H-benzimidazole-2-butanoic acid ethyl ester molecular structure lightbox
CAS RN: 3543-73-5

1-Methyl-5-amino-1H-benzimidazole-2-butanoic acid ethyl ester

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260306 100g In stock Inquiry
Batchno.20251007 1g In stock Inquiry
Batchno.20250714 25g In stock Inquiry
Batchno.20260610 5g In stock Inquiry
  • Product code: SSC-142424
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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 3543-73-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

3543-73-5 / ethyl 4-(5-amino-1-methylbenzimidazol-2-yl)butanoate

Standard CAS: 3543-73-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3543-73-5
Multi CAS
Yes
Molecular Formula
C14H19N3O2
Molecular Weight
261.320000
Exact Mass
261.147727
InChI
InChI=1S/C14H19N3O2/c1-3-19-14(18)6-4-5-13-16-11-9-10(15)7-8-12(11)17(13)2/h7-9H,3-6,15H2,1-2H3
InChIKey
JUMGOLYNZBZPKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.7
TPSA
70.14

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
1.6
Consensus LogP
1.81
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

Drug-likeness / Medicinal Chemistry

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

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