CAS RN: 96385-49-8
1,2-BenzenedicarboxaMide, 4-chloro-
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.20250305 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS96385-49-8
- Purity/Analytical Methods: >99.0%
96385-49-8 / 4-chlorobenzene-1,2-dicarboxamide
Basic Information
CAS
96385-49-8
Multi CAS
No
Molecular Formula
C8H7CLN2O2
Molecular Weight
198.600000
Exact Mass
198.019605
InChI
InChI=1S/C8H7ClN2O2/c9-4-1-2-5(7(10)12)6(3-4)8(11)13/h1-3H,(H2,10,12)(H2,11,13)
InChIKey
YGIFSVAYJLFDLC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.49
TPSA
86.18
LogP / Solubility
WLOGP
0.54
MLOGP
0.47
XLogP3
1.1
Consensus LogP
0.7
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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