![CAS 630421-45-3 Methyl (2S,4R)-1-[(S)-2-(Boc-amino)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/630421-45-3.gif)
CAS RN: 630421-45-3
Methyl (2S,4R)-1-[(S)-2-(Boc-amino)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260104 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-172558
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: 1g, 5g, 10g, 0.1g, 0.25g, 25g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 25g | ≥95% | 2 In Stock | Beijing | Inquiry |
630421-45-3 / methyl 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-hydroxypyrrolidine-2-carboxylate
Basic Information
CAS
630421-45-3
Multi CAS
Yes
Molecular Formula
C17H30N2O6
Molecular Weight
358.400000
Exact Mass
358.210387
InChI
InChI=1S/C17H30N2O6/c1-16(2,3)12(18-15(23)25-17(4,5)6)13(21)19-9-10(20)8-11(19)14(22)24-7/h10-12,20H,8-9H2,1-7H3,(H,18,23)/t10-,11+,12-/m1/s1
InChIKey
YJSDCJXQCWZQGU-GRYCIOLGSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
90.75
TPSA
105.17
LogP / Solubility
WLOGP
1.06
MLOGP
0.95
XLogP3
1.7
Consensus LogP
1.24
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-4.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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(2S,4R)-1-((S)-2-((tert-butoxycarbonyl)amino)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylicacid
- CAS RN: 630421-46-4
- Product Code: SSC-172559
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