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CAS 99805-29-5 2-[(4,4-Diethoxy-2-butyn-1-yl)oxy]tetrahydropyran molecular structure lightbox
CAS RN: 99805-29-5

2-[(4,4-Diethoxy-2-butyn-1-yl)oxy]tetrahydropyran

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250206 100mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-213350
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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: 0.1g, 0.25g, 1g, 5g
  • 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 99805-29-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

99805-29-5 / 2-(4,4-diethoxybut-2-ynoxy)oxane

Standard CAS: 99805-29-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99805-29-5
Multi CAS
No
Molecular Formula
C13H22O4
Molecular Weight
242.310000
Exact Mass
242.151809
InChI
InChI=1S/C13H22O4/c1-3-14-12(15-4-2)9-7-11-17-13-8-5-6-10-16-13/h12-13H,3-6,8,10-11H2,1-2H3
InChIKey
JUQGLOFZQZNAJR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
64.36
TPSA
36.92

LogP / Solubility

WLOGP
1.93
MLOGP
1.71
XLogP3
1.6
Consensus LogP
1.75
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.56
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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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