![CAS 543695-30-3 2-[(Cyclopropylcarbonyl)aMino]-5-hydroxybenzoic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/543695-30-3.gif)
CAS RN: 543695-30-3
2-[(Cyclopropylcarbonyl)aMino]-5-hydroxybenzoic Acid
- Product code: SSC-162006
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
543695-30-3 / 2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid
Basic Information
CAS
543695-30-3
Multi CAS
Yes
Molecular Formula
C11H11NO4
Molecular Weight
221.210000
Exact Mass
221.068808
InChI
InChI=1S/C11H11NO4/c13-7-3-4-9(8(5-7)11(15)16)12-10(14)6-1-2-6/h3-6,13H,1-2H2,(H,12,14)(H,15,16)
InChIKey
MEPLUSPZRYYTTI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
56.42
TPSA
86.63
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.3
Consensus LogP
1.34
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 543713-33-3 C-[3-(2-FLUORO-PHENYL)-ISOXAZOL-5-YL]-METHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/543713-33-3.gif)
