CAS RN: 49559-65-1
5-CHLORO-BENZOOXAZOLE-2-CARBOXYLIC 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.20250526 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS49559-65-1
- Purity/Analytical Methods: >99.0%
49559-65-1 / 5-chloro-1,3-benzoxazole-2-carboxylic acid
Basic Information
CAS
49559-65-1
Multi CAS
No
Molecular Formula
C8H4CLNO3
Molecular Weight
197.570000
Exact Mass
196.987971
InChI
InChI=1S/C8H4ClNO3/c9-4-1-2-6-5(3-4)10-7(13-6)8(11)12/h1-3H,(H,11,12)
InChIKey
DYJGNDXUMNGLIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.98
TPSA
63.33
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
2.7
Consensus LogP
2.27
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
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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