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CAS 98027-27-1 5-Bromothiophene-2-carbohydrazide molecular structure lightbox
CAS RN: 98027-27-1

5-Bromothiophene-2-carbohydrazide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250303 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS98027-27-1
  • Purity/Analytical Methods: >99.0%
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98027-27-1 / 5-bromothiophene-2-carbohydrazide

Standard CAS: 98027-27-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
98027-27-1
Multi CAS
No
Molecular Formula
BC5H5ORn2S
Molecular Weight
221.080000
Exact Mass
219.930600
InChI
InChI=1S/C5H5BrN2OS/c6-4-2-1-3(10-4)5(9)8-7/h1-2H,7H2,(H,8,9)
InChIKey
OFXZACLPQYOIAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.67
TPSA
55.12

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
1.5
Consensus LogP
1.2
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

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

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