CAS RN: 387825-03-8
Salclobuzic acid
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.20250103 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS387825-03-8
- Purity/Analytical Methods: >99.0%
387825-03-8 / 4-[(4-chloro-2-hydroxybenzoyl)amino]butanoic acid
Basic Information
CAS
387825-03-8
Multi CAS
No
Molecular Formula
C11H12CLNO4
Molecular Weight
257.670000
Exact Mass
257.045486
InChI
InChI=1S/C11H12ClNO4/c12-7-3-4-8(9(14)6-7)11(17)13-5-1-2-10(15)16/h3-4,6,14H,1-2,5H2,(H,13,17)(H,15,16)
InChIKey
GCVGCXMTCJMBHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
62.32
TPSA
86.63
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.9
Consensus LogP
1.66
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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