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CAS 24786-52-5 5-amino-6-bromo-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one(SALTDATA: FREE) molecular structure lightbox
CAS RN: 24786-52-5

5-amino-6-bromo-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one(SALTDATA: FREE)

  • Product code: SSC-119878
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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 24786-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

24786-52-5 / 5-amino-6-bromo-1,3-dimethylbenzimidazol-2-one

Standard CAS: 24786-52-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24786-52-5
Multi CAS
No
Molecular Formula
C9H10BrN3O
Molecular Weight
256.100000
Exact Mass
255.000720
SMILES
CN1C2=C(C=C(C(=C2)N)Br)N(C1=O)C
InChI
InChI=1S/C9H10BrN3O/c1-12-7-3-5(10)6(11)4-8(7)13(2)9(12)14/h3-4H,11H2,1-2H3
InChIKey
SXPRALARBJCCIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.27
TPSA
52.95

LogP / Solubility

WLOGP
1.22
MLOGP
1.08
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41

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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