[email protected]
CAS 69380-73-0 1H-Benzimidazole-1-carboxylicacid,methylester(9CI) molecular structure lightbox
CAS RN: 69380-73-0

1H-Benzimidazole-1-carboxylicacid,methylester(9CI)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS69380-73-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

69380-73-0 / methyl benzimidazole-1-carboxylate

Standard CAS: 69380-73-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69380-73-0
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
InChI
InChI=1S/C9H8N2O2/c1-13-9(12)11-6-10-7-4-2-3-5-8(7)11/h2-6H,1H3
InChIKey
OJHVSVKKRBFAEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
47.54
TPSA
44.12

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.7
Consensus LogP
1.6
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us