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CAS 87320-05-6 5-ETHYL-5-(HYDROXYMETHYL)-BETA BETA-DI-& molecular structure lightbox
CAS RN: 87320-05-6

5-ETHYL-5-(HYDROXYMETHYL)-BETA BETA-DI-&

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260314 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-197135
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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: 25g
  • 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 87320-05-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

87320-05-6 / [5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl prop-2-enoate

Standard CAS: 87320-05-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87320-05-6
Multi CAS
Yes
Molecular Formula
C17H26O6
Molecular Weight
326.400000
Exact Mass
326.172939
InChI
InChI=1S/C17H26O6/c1-6-13(18)20-9-16(4,5)15-22-11-17(8-3,12-23-15)10-21-14(19)7-2/h6-7,15H,1-2,8-12H2,3-5H3
InChIKey
YNTQTLGBCMXNFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.65
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
84.51
TPSA
71.06

LogP / Solubility

WLOGP
2.24
MLOGP
1.99
XLogP3
3
Consensus LogP
2.41
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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