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CAS 7341-98-2 2-MERCAPTOBENZOOXAZOLE-5-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 7341-98-2

2-MERCAPTOBENZOOXAZOLE-5-CARBOXYLIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250622 100mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS7341-98-2
  • Purity/Analytical Methods: >99.0%
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7341-98-2 / 2-sulfanylidene-3H-1,3-benzoxazole-5-carboxylic acid

Standard CAS: 7341-98-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7341-98-2
Multi CAS
Yes
Molecular Formula
C8H5NO3S
Molecular Weight
195.200000
Exact Mass
194.999014
InChI
InChI=1S/C8H5NO3S/c10-7(11)4-1-2-6-5(3-4)9-8(13)12-6/h1-3H,(H,9,13)(H,10,11)
InChIKey
GUGDWCNTMFYFRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.36
TPSA
66.23

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
1.3
Consensus LogP
1.81
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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