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CAS 18604-28-9 (3a’R,4S,7’S,7a’S)-2,2,2′,2′-tetramethyltetrahydrospiro[[1,3]dioxolane-4,6′-[1,3]dioxolo[4,5-c]pyran]-7′-ol molecular structure lightbox
CAS RN: 18604-28-9

(3a’R,4S,7’S,7a’S)-2,2,2′,2′-tetramethyltetrahydrospiro[[1,3]dioxolane-4,6′-[1,3]dioxolo[4,5-c]pyran]-7′-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250904 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS18604-28-9
  • Purity/Analytical Methods: >99.0%
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18604-28-9 / (3'aS,4S,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol

Standard CAS: 18604-28-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18604-28-9
Multi CAS
No
Molecular Formula
C12H20O6
Molecular Weight
260.280000
Exact Mass
260.125988
SMILES
CC1(OC[C@]2(O1)[C@H]([C@H]3[C@H](CO2)OC(O3)(C)C)O)C
InChI
InChI=1S/C12H20O6/c1-10(2)15-6-12(18-10)9(13)8-7(5-14-12)16-11(3,4)17-8/h7-9,13H,5-6H2,1-4H3/t7-,8+,9-,12-/m0/s1
InChIKey
NFHXOQDPQIQPKT-NHRVJRKFSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
59.63
TPSA
66.38

LogP / Solubility

WLOGP
0.38
MLOGP
0.34
XLogP3
-0.3
Consensus LogP
0.14
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-4.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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