CAS RN: 898404-93-8
1-TERT-BUTOXYCARBONYLAMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250131 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-201931
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 1g | -- | 1 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
898404-93-8 / 1-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
Basic Information
CAS
898404-93-8
Multi CAS
Yes
Molecular Formula
C16H21NO4
Molecular Weight
291.340000
Exact Mass
291.147058
InChI
InChI=1S/C16H21NO4/c1-15(2,3)21-14(20)17-16(13(18)19)10-6-8-11-7-4-5-9-12(11)16/h4-5,7,9H,6,8,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
YMXQUKSKLXESDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
78.06
TPSA
75.63
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.8
Consensus LogP
2.71
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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