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CAS 14980-09-7 (2S,3R,4S,5R)-5-((benzyloxy)methyl)-4-fluoro-2-methoxytetrahydrofuran-3-ol molecular structure lightbox
CAS RN: 14980-09-7

(2S,3R,4S,5R)-5-((benzyloxy)methyl)-4-fluoro-2-methoxytetrahydrofuran-3-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251223 250mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS14980-09-7
  • Purity/Analytical Methods: >99.0%
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14980-09-7 / (2S,3R,4S,5R)-4-fluoro-2-methoxy-5-(phenylmethoxymethyl)oxolan-3-ol

Standard CAS: 14980-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14980-09-7
Multi CAS
No
Molecular Formula
C13H17FO4
Molecular Weight
256.270000
Exact Mass
256.111087
SMILES
CO[C@@H]1[C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)F)O
InChI
InChI=1S/C13H17FO4/c1-16-13-12(15)11(14)10(18-13)8-17-7-9-5-3-2-4-6-9/h2-6,10-13,15H,7-8H2,1H3/t10-,11-,12+,13+/m1/s1
InChIKey
ZXRHKGGFYQBSNP-NDBYEHHHSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.67
TPSA
47.92

LogP / Solubility

WLOGP
1.27
MLOGP
1.13
XLogP3
1.1
Consensus LogP
1.17
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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