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CAS 1805-02-3 2-Amino-5-methoxy-1-methylbenzimidazole molecular structure lightbox
CAS RN: 1805-02-3

2-Amino-5-methoxy-1-methylbenzimidazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250913 25mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-081310
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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: ≥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 1805-02-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1805-02-3 / 5-methoxy-1-methylbenzimidazol-2-amine

Standard CAS: 1805-02-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1805-02-3
Multi CAS
No
Molecular Formula
C9H11N3O
Molecular Weight
177.200000
Exact Mass
177.090212
SMILES
CN1C2=C(C=C(C=C2)OC)N=C1N
InChI
InChI=1S/C9H11N3O/c1-12-8-4-3-6(13-2)5-7(8)11-9(12)10/h3-5H,1-2H3,(H2,10,11)
InChIKey
BTSAWSKQHDFYIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.68
TPSA
53.07

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
0.9
Consensus LogP
1.03
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

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

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