[email protected]
CAS 1196145-11-5 1(tertbutoxycarbonyl)4,4difluoropyrrolidine3carboxylic acid molecular structure lightbox
CAS RN: 1196145-11-5

1(tertbutoxycarbonyl)4,4difluoropyrrolidine3carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250729 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-020165
GET A QUOTE
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
Request Bulk Quote

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 1196145-11-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

1196145-11-5 / 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

1-(TERT-BUTOXYCARBONYL)-4,4-DIFLUOROPYRROLIDINE-3-CARBOXYLIC ACID | MFCD13189575 | 1-[(tert-butoxy)carbonyl]-4,4-difluoropyrrolidine-3-carboxylic acid

Standard CAS: 1196145-11-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1196145-11-5
Multi CAS
Yes
Molecular Formula
C10H15F2NO4
Molecular Weight
251.230000
Exact Mass
251.096914
SMILES
CC(C)(C)OC(=O)N1CC(C(C1)(F)F)C(=O)O
InChI
InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-4-6(7(14)15)10(11,12)5-13/h6H,4-5H2,1-3H3,(H,14,15)
InChIKey
GWBQDKLQWBESMQ-UHFFFAOYSA-N
Synonyms
1-(TERT-BUTOXYCARBONYL)-4,4-DIFLUOROPYRROLIDINE-3-CARBOXYLIC ACID MFCD13189575 1-[(tert-butoxy)carbonyl]-4,4-difluoropyrrolidine-3-carboxylic acid 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid 4,4-DIFLUORO-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.88
TPSA
66.84

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.1
Consensus LogP
1.35
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us