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CAS 58281-80-4 METHYL (2S,4R)-4-FLUOROPROLINATE molecular structure lightbox
CAS RN: 58281-80-4

METHYL (2S,4R)-4-FLUOROPROLINATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260603 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-166513
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 58281-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

58281-80-4 / methyl 4-fluoropyrrolidine-2-carboxylate

Standard CAS: 58281-80-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58281-80-4
Multi CAS
Yes
Molecular Formula
C6FH10NO2
Molecular Weight
147.150000
Exact Mass
147.069557
InChI
InChI=1S/C6H10FNO2.ClH/c1-10-6(9)5-2-4(7)3-8-5;/h4-5,8H,2-3H2,1H3;1H/t4-,5+;/m1./s1
InChIKey
SJLXDUCYXKAYFC-JBUOLDKXSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.32
TPSA
38.33

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.13
XLogP3
0.3
Consensus LogP
0.01
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
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)
-3.72

Drug-likeness / Medicinal Chemistry

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

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