CAS RN: 32808-51-8
bucloxic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260502 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS32808-51-8
- Purity/Analytical Methods: >99.0%
32808-51-8 / 4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoic acid
Basic Information
CAS
32808-51-8
Multi CAS
No
Molecular Formula
C16H19CLO3
Molecular Weight
294.770000
Exact Mass
294.102272
InChI
InChI=1S/C16H19ClO3/c17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)
InChIKey
IJTPQQVCKPZIMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.48
TPSA
54.37
LogP / Solubility
WLOGP
4.44
MLOGP
3.91
XLogP3
4.2
Consensus LogP
4.18
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly 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)
-1.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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