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CAS 104681-92-7 4,4-dimethoxytetrahydro-2H-pyran-3-ol molecular structure lightbox
CAS RN: 104681-92-7

4,4-dimethoxytetrahydro-2H-pyran-3-ol

  • Product code: SSC-006434
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 10g, 25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104681-92-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 5 In Stock Beijing Inquiry
25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

104681-92-7 / 4,4-dimethoxyoxan-3-ol

4,4-Dimethoxytetrahydro-2H-pyran-3-ol | DTXSID90479822 | RefChem:284964

Standard CAS: 104681-92-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104681-92-7
Multi CAS
Yes
Molecular Formula
C7H14O4
Molecular Weight
162.180000
Exact Mass
162.089209
SMILES
COC1(CCOCC1O)OC
InChI
InChI=1S/C7H14O4/c1-9-7(10-2)3-4-11-5-6(7)8/h6,8H,3-5H2,1-2H3
InChIKey
BXGOXDLHSNHTCX-UHFFFAOYSA-N
Synonyms
4,4-Dimethoxytetrahydro-2H-pyran-3-ol DTXSID90479822 RefChem:284964 DTXCID10430632 4,4-dimethoxyoxan-3-ol

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.19
TPSA
47.92

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.22
XLogP3
-0.7
Consensus LogP
-0.39
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-3.88

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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