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CAS 64826-45-5 1,3-DIMETHYL-2-OXO-2,3-DIHYDRO-1 H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 64826-45-5

1,3-DIMETHYL-2-OXO-2,3-DIHYDRO-1 H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID

  • Product code: SSC-174493
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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 64826-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

64826-45-5 / 1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid

Standard CAS: 64826-45-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64826-45-5
Multi CAS
No
Molecular Formula
C10H10N2O3
Molecular Weight
206.200000
Exact Mass
206.069142
InChI
InChI=1S/C10H10N2O3/c1-11-7-4-3-6(9(13)14)5-8(7)12(2)10(11)15/h3-5H,1-2H3,(H,13,14)
InChIKey
YADNYMAVRMDIDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.12
TPSA
64.23

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
1
Consensus LogP
0.7
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.57

Drug-likeness / Medicinal Chemistry

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

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