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CAS 80983-34-2 2-Amino-5-propylsulphonylbenzimidazole molecular structure lightbox
CAS RN: 80983-34-2

2-Amino-5-propylsulphonylbenzimidazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260523 25mg In stock Shanghai Inquiry
  • Product code: starshine_CAS80983-34-2
  • Purity/Analytical Methods: >99.0%
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80983-34-2 / 6-propylsulfonyl-1H-benzimidazol-2-amine

Standard CAS: 80983-34-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80983-34-2
Multi CAS
Yes
Molecular Formula
C10H13N3O2S
Molecular Weight
239.300000
Exact Mass
239.072848
InChI
InChI=1S/C10H13N3O2S/c1-2-5-16(14,15)7-3-4-8-9(6-7)13-10(11)12-8/h3-4,6H,2,5H2,1H3,(H3,11,12,13)
InChIKey
WTPBIYSMFKUQKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.85
TPSA
88.84

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
1.4
Consensus LogP
1.3
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

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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