CAS RN: 168216-05-5
(4S,5R)-3-(FMOC-VAL)-2,2,5-TRIMETHYL-OXAZOLIDINE-4-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250514 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20260209 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250528 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250514 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250527 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-073333
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: 0.25g, 1g, 5g, 10g, 25g
- Available purity: >95%
- 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 |
|---|---|---|---|---|
| 0.25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 0 Out of Stock | Shanghai | Inquiry |
168216-05-5 / (4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
Basic Information
CAS
168216-05-5
Multi CAS
No
Molecular Formula
C27H32N2O6
Molecular Weight
480.600000
Exact Mass
480.226037
SMILES
C[C@@H]1[C@H](N(C(O1)(C)C)C(=O)[C@H](C(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C27H32N2O6/c1-15(2)22(24(30)29-23(25(31)32)16(3)35-27(29,4)5)28-26(33)34-14-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h6-13,15-16,21-23H,14H2,1-5H3,(H,28,33)(H,31,32)/t16-,22+,23+/m1/s1
InChIKey
OPMOLWFENHTLNA-XARZLDAJSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
129.73
TPSA
105.17
LogP / Solubility
WLOGP
3.99
MLOGP
3.54
XLogP3
4.4
Consensus LogP
3.98
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 168263-80-7 1,2-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2-methyl 1-(phenylmethyl) ester, (2S,4S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/168263-80-7.gif)
