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CAS 871360-12-2 D-xylo-D-allo-Dodeconic acid, 3,7:6,10-dianhydro-8,9-O-cyclohexylidene-2,4,5-trideoxy-, methyl ester molecular structure lightbox
CAS RN: 871360-12-2

D-xylo-D-allo-Dodeconic acid, 3,7:6,10-dianhydro-8,9-O-cyclohexylidene-2,4,5-trideoxy-, methyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250117 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-196764
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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 871360-12-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

871360-12-2 / methyl 2-[(1S,2S,6R,7S,9S,12R)-7-[(1R)-1,2-dihydroxyethyl]spiro[3,5,8,13-tetraoxatricyclo[7.4.0.02,6]tridecane-4,1'-cyclohexane]-12-yl]acetate

Standard CAS: 871360-12-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
871360-12-2
Multi CAS
No
Molecular Formula
C19H30O8
Molecular Weight
386.400000
Exact Mass
386.194068
InChI
InChI=1S/C19H30O8/c1-23-14(22)9-11-5-6-13-16(24-11)18-17(15(25-13)12(21)10-20)26-19(27-18)7-3-2-4-8-19/h11-13,15-18,20-21H,2-10H2,1H3/t11-,12-,13+,15+,16+,17-,18+/m1/s1
InChIKey
QGTVVIFITONCPC-HZYGORRSSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.95
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
2
Molar refractivity
91.84
TPSA
103.68

LogP / Solubility

WLOGP
0.66
MLOGP
0.61
XLogP3
0.3
Consensus LogP
0.52
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-4.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

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