![CAS 885525-65-5 3-[(CYCLOPROPYLCARBONYL)AMINO]-2-NAPHTHOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2164504.gif)
CAS RN: 885525-65-5
3-[(CYCLOPROPYLCARBONYL)AMINO]-2-NAPHTHOIC ACID
- Product code: SSC-199640
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
885525-65-5 / 3-(cyclopropanecarbonylamino)naphthalene-2-carboxylic acid
Basic Information
CAS
885525-65-5
Multi CAS
No
Molecular Formula
C15H13NO3
Molecular Weight
255.270000
Exact Mass
255.089543
InChI
InChI=1S/C15H13NO3/c17-14(9-5-6-9)16-13-8-11-4-2-1-3-10(11)7-12(13)15(18)19/h1-4,7-9H,5-6H2,(H,16,17)(H,18,19)
InChIKey
YKBUHVJCWJNFNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
72.26
TPSA
66.4
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
2.9
Consensus LogP
2.78
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 885529-68-0 2-METHYL-2,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOL-3-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/885529-68-0.gif)
