![CAS 62524-21-4 3-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID HYDRAZIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/62524-21-4.gif)
CAS RN: 62524-21-4
3-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID HYDRAZIDE
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS62524-21-4
- Purity/Analytical Methods: >99.0%
62524-21-4 / 3-chloro-1-benzothiophene-2-carbohydrazide
Basic Information
CAS
62524-21-4
Multi CAS
No
Molecular Formula
C9H7CLN2OS
Molecular Weight
226.680000
Exact Mass
225.996762
InChI
InChI=1S/C9H7ClN2OS/c10-7-5-3-1-2-4-6(5)14-8(7)9(13)12-11/h1-4H,11H2,(H,12,13)
InChIKey
HSEDHPBSCKIDQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.49
TPSA
55.12
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
2.4
Consensus LogP
2.15
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
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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