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CAS 817554-70-4 1-Pyrrolidinecarboxylicacid,2-(hydroxymethyl)-3-methyl-,1,1-dimethylethylester,(2S,3S)-(9CI) molecular structure lightbox
CAS RN: 817554-70-4

1-Pyrrolidinecarboxylicacid,2-(hydroxymethyl)-3-methyl-,1,1-dimethylethylester,(2S,3S)-(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251004 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-190096
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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: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 817554-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

817554-70-4 / tert-butyl (2S,3S)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate

Standard CAS: 817554-70-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
817554-70-4
Multi CAS
Yes
Molecular Formula
C11H21NO3
Molecular Weight
215.290000
Exact Mass
215.152144
InChI
InChI=1S/C11H21NO3/c1-8-5-6-12(9(8)7-13)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKey
FPUBEXOAVGKKCY-DTWKUNHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.59
TPSA
49.77

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.4
Consensus LogP
1.48
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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