[email protected]
CAS 1073555-68-6 4,4-difluoro-Proline molecular structure lightbox
CAS RN: 1073555-68-6

4,4-difluoro-Proline

  • Product code: SSC-008959
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1073555-68-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1073555-68-6 / 4,4-difluoropyrrolidine-2-carboxylic acid

4,4-difluoropyrrolidine-2-carboxylic acid | MFCD13186733 | SCHEMBL40622

Standard CAS: 1073555-68-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1073555-68-6
Multi CAS
No
Molecular Formula
C5H7F2NO2
Molecular Weight
151.110000
Exact Mass
151.044485
SMILES
C1C(NCC1(F)F)C(=O)O
InChI
InChI=1S/C5H7F2NO2/c6-5(7)1-3(4(9)10)8-2-5/h3,8H,1-2H2,(H,9,10)
InChIKey
ZPBIYZHGBPBZCK-UHFFFAOYSA-N
Synonyms
4,4-difluoropyrrolidine-2-carboxylic acid MFCD13186733 SCHEMBL40622 AKOS023601125 PB34534

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.99
TPSA
49.33

LogP / Solubility

WLOGP
0.07
MLOGP
0.05
XLogP3
-2.1
Consensus LogP
-0.66
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very 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)
-3.59

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us