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CAS 10141-72-7 2-Methyltetrahydropyran molecular structure lightbox
CAS RN: 10141-72-7

2-Methyltetrahydropyran

  • Product code: SSC-002250
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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 10141-72-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

10141-72-7 / 2-methyloxane

2-methyloxane | DTXSID60906150 | RefChem:1063841

Standard CAS: 10141-72-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10141-72-7
Multi CAS
No
Molecular Formula
C6H12O
Molecular Weight
100.160000
Exact Mass
100.088815
SMILES
CC1CCCCO1
InChI
InChI=1S/C6H12O/c1-6-4-2-3-5-7-6/h6H,2-5H2,1H3
InChIKey
YBDQLHBVNXARAU-UHFFFAOYSA-N
Synonyms
2-methyloxane DTXSID60906150 RefChem:1063841 DTXCID601335248 2-Methyltetrahydropyran

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
29.26
TPSA
9.23

LogP / Solubility

WLOGP
1.58
MLOGP
1.37
XLogP3
1.4
Consensus LogP
1.45
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-2.21

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 3 of 3 companies. For more detailed information, please visit ECHA C&L website.

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