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CAS 165524-52-7 1,3-Dioxolane-4-methanol, α,2,2-trimethyl-, (αR,4S)- molecular structure lightbox
CAS RN: 165524-52-7

1,3-Dioxolane-4-methanol, α,2,2-trimethyl-, (αR,4S)-

  • Product code: SSC-072292
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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 165524-52-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

165524-52-7 / (1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

Standard CAS: 165524-52-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
165524-52-7
Multi CAS
No
Molecular Formula
C7H14O3
Molecular Weight
146.180000
Exact Mass
146.094294
SMILES
C[C@H]([C@@H]1COC(O1)(C)C)O
InChI
InChI=1S/C7H14O3/c1-5(8)6-4-9-7(2,3)10-6/h5-6,8H,4H2,1-3H3/t5-,6+/m1/s1
InChIKey
YJZDTHNWQIMGBF-RITPCOANSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.58
TPSA
38.69

LogP / Solubility

WLOGP
0.52
MLOGP
0.45
XLogP3
0.2
Consensus LogP
0.39
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
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)
-3.24

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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