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CAS 879551-04-9 (3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxyMethyl)-3-Methyl-dihydrofuran-2(3H)-one molecular structure lightbox
CAS RN: 879551-04-9

(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxyMethyl)-3-Methyl-dihydrofuran-2(3H)-one

  • Product code: SSC-198347
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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: 1g
  • Available purity: ＞97%
  • 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 879551-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

879551-04-9 / 3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one

Standard CAS: 879551-04-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
879551-04-9
Multi CAS
Yes
Molecular Formula
C6FH9O4
Molecular Weight
164.130000
Exact Mass
164.048487
InChI
InChI=1S/C6H9FO4/c1-6(7)4(9)3(2-8)11-5(6)10/h3-4,8-9H,2H2,1H3/t3-,4-,6-/m1/s1
InChIKey
VNCJYMKHJWVTPK-ZMIZWQJLSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
32.49
TPSA
66.76

LogP / Solubility

WLOGP
-1.01
MLOGP
-0.89
XLogP3
-0.2
Consensus LogP
-0.7
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.01
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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