![CAS 380432-28-0 Benzoic acid, 3-[[(3,4-dichlorophenyl)sulfonyl]amino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/380432-28-0.gif)
CAS RN: 380432-28-0
Benzoic acid, 3-[[(3,4-dichlorophenyl)sulfonyl]amino]-
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.20251227 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS380432-28-0
- Purity/Analytical Methods: >99.0%
380432-28-0 / 3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
Basic Information
CAS
380432-28-0
Multi CAS
No
Molecular Formula
C13H9CL2NO4S
Molecular Weight
346.200000
Exact Mass
344.962934
InChI
InChI=1S/C13H9Cl2NO4S/c14-11-5-4-10(7-12(11)15)21(19,20)16-9-3-1-2-8(6-9)13(17)18/h1-7,16H,(H,17,18)
InChIKey
AKPAXFIVLVXWKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.67
TPSA
83.47
LogP / Solubility
WLOGP
3.49
MLOGP
3.09
XLogP3
3.2
Consensus LogP
3.26
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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)
-2.35
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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