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CAS 75096-60-5 1,2-O-Isopropylidene-5-O-(4-Methylbenzoyl)-alpha-D-xylofuranose molecular structure lightbox
CAS RN: 75096-60-5

1,2-O-Isopropylidene-5-O-(4-Methylbenzoyl)-alpha-D-xylofuranose

  • Product code: SSC-184612
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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: ≥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 75096-60-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

75096-60-5 / [(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl 4-methylbenzoate

Standard CAS: 75096-60-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75096-60-5
Multi CAS
Yes
Molecular Formula
C16H20O6
Molecular Weight
308.330000
Exact Mass
308.125988
InChI
InChI=1S/C16H20O6/c1-9-4-6-10(7-5-9)14(18)19-8-11-12(17)13-15(20-11)22-16(2,3)21-13/h4-7,11-13,15,17H,8H2,1-3H3/t11-,12+,13-,15-/m1/s1
InChIKey
AFHPWODMQGXJFV-QVHKTLOISA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
76.17
TPSA
74.22

LogP / Solubility

WLOGP
1.39
MLOGP
1.24
XLogP3
1.6
Consensus LogP
1.41
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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