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CAS 1107658-75-2 1-pyrrolidinecarboxylic acid, 3-hydroxy-4-methyl-, 1,1-dimethylethyl ester, (3r,4r)-rel- molecular structure lightbox
CAS RN: 1107658-75-2

1-pyrrolidinecarboxylic acid, 3-hydroxy-4-methyl-, 1,1-dimethylethyl ester, (3r,4r)-rel-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-011730
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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, 10g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 1107658-75-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry

1107658-75-2 / tert-butyl (3R,4R)-3-hydroxy-4-methylpyrrolidine-1-carboxylate

TERT-BUTYL 3-HYDROXY-4-METHYLPYRROLIDINE-1-CARBOXYLATE | tert-Butyl cis-3-Hydroxy-4-methylpyrrolidine-1-carboxylate | SCHEMBL951953

Standard CAS: 1107658-75-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1107658-75-2
Multi CAS
Yes
Molecular Formula
C10H19NO3
Molecular Weight
201.260000
Exact Mass
201.136493
SMILES
C[C@@H]1CN(C[C@@H]1O)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO3/c1-7-5-11(6-8(7)12)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKey
YMSRLPJZNWGMAM-SFYZADRCSA-N
Synonyms
TERT-BUTYL 3-HYDROXY-4-METHYLPYRROLIDINE-1-CARBOXYLATE tert-Butyl cis-3-Hydroxy-4-methylpyrrolidine-1-carboxylate SCHEMBL951953 tert-Butyl (3R,4R)-3-hydroxy-4-methyl-pyrrolidine-1-carboxylate tert-Butyl (3S,4R)-3-hydroxy-4-methyl-pyrrolidine-1-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.98
TPSA
49.77

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
1.1
Consensus LogP
1.14
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-3.07

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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