CAS RN: 690646-06-1
N-(4-(2-benzoylhydrazinecarbonyl)benzyl)-3-chloro-4-fluorobenzenesulfonaMide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260224 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS690646-06-1
- Purity/Analytical Methods: >99.0%
690646-06-1 / 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]benzoic acid
Basic Information
CAS
690646-06-1
Multi CAS
No
Molecular Formula
C14H11CLFNO4S
Molecular Weight
343.800000
Exact Mass
343.008135
InChI
InChI=1S/C14H11ClFNO4S/c15-12-7-11(5-6-13(12)16)22(20,21)17-8-9-1-3-10(4-2-9)14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKey
XDBMHGBVEFTTBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
78.84
TPSA
83.47
LogP / Solubility
WLOGP
2.66
MLOGP
2.35
XLogP3
2.6
Consensus LogP
2.54
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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