![CAS 138402-13-8 4-{[(benzyloxy)carbonyl]amino}tetrahydro-2H-pyran-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/138402-13-8.gif)
CAS RN: 138402-13-8
4-{[(benzyloxy)carbonyl]amino}tetrahydro-2H-pyran-4-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260517 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-048324
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: >97%
- Inventory rows with stock: 4
- 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 | -- | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 2 In Stock | Beijing | Inquiry |
| 1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 1g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 5g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | >97% | 0 Out of Stock | Beijing | Inquiry |
138402-13-8 / 4-(phenylmethoxycarbonylamino)oxane-4-carboxylic acid
Basic Information
CAS
138402-13-8
Multi CAS
No
Molecular Formula
C14H17NO5
Molecular Weight
279.290000
Exact Mass
279.110673
SMILES
C1COCCC1(C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H17NO5/c16-12(17)14(6-8-19-9-7-14)15-13(18)20-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,18)(H,16,17)
InChIKey
KBGZJANMFZSOFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.18
TPSA
84.86
LogP / Solubility
WLOGP
1.55
MLOGP
1.37
XLogP3
1.2
Consensus LogP
1.37
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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