![CAS 75150-40-2 2-[(4-CHLOROPHENYL)SULFANYL]ACETOHYDRAZIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/75150-40-2.gif)
CAS RN: 75150-40-2
2-[(4-CHLOROPHENYL)SULFANYL]ACETOHYDRAZIDE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS75150-40-2
- Purity/Analytical Methods: >99.0%
75150-40-2 / 2-(4-chlorophenyl)sulfanylacetohydrazide
Basic Information
CAS
75150-40-2
Multi CAS
Yes
Molecular Formula
C8H9CLN2OS
Molecular Weight
216.690000
Exact Mass
216.012412
InChI
InChI=1S/C8H9ClN2OS/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
InChIKey
SXJWSRUPDZKESM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.51
TPSA
55.12
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
1.7
Consensus LogP
1.46
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-3.03
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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- CAS RN: 75159-10-3
- Product Code: starshine_CAS75159-10-3
- Purity/Analytical method: >99.0%
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