CAS 1202245-65-5 4-Ethynyltetrahydro-2H-py… molecular structure

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CAS RN: 1202245-65-5

4-Ethynyltetrahydro-2H-py…

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8 package records7 with current stock1 grade group

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Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20260502	10g	In stock	Shanghai		Inquiry
Batchno.20251204	1g	In stock	Shanghai, Shandong		Inquiry
Batchno.20251125	1g	In stock	Shanghai, Tianjin, Wuhan		Inquiry
Batchno.20251230	250mg	In stock	Shanghai		Inquiry
Batchno.20250909	250mg	In stock	Shanghai		Inquiry
Batchno.20251021	25g	In stock	Shanghai		Inquiry
Batchno.20260220	5g	Out of stock		5-7 business days	Inquiry
Batchno.20251224	5g	In stock	Shanghai, Tianjin, Wuhan		Inquiry

Product code: SSC-021084

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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: >98%
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 1202245-65-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	>98%	0 Out of Stock	Shenzhen	Inquiry
0.25g	>98%	0 Out of Stock	Hong Kong	Inquiry
1g	>98%	0 Out of Stock	Hong Kong	Inquiry
5g	>98%	0 Out of Stock	Beijing	Inquiry

1202245-65-5 / 4-ethynyloxane

4-ethynyloxane | DTXSID50720569 | RefChem:292712

Standard CAS: 1202245-65-5 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

1202245-65-5

Multi CAS

Molecular Formula

C7H10O

Molecular Weight

110.150000

Exact Mass

110.073165

SMILES

C#CC1CCOCC1

InChI

InChI=1S/C7H10O/c1-2-7-3-5-8-6-4-7/h1,7H,3-6H2

InChIKey

BMYOVGRZKOKXMG-UHFFFAOYSA-N

Synonyms

4-ethynyloxane DTXSID50720569 RefChem:292712 DTXCID40671314 838-321-0

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.71

H-bond acceptors

Molar refractivity

32.38

TPSA

9.23

LogP / Solubility

WLOGP

1.05

MLOGP

0.91

XLogP3

0.9

Consensus LogP

0.95

Log S (ESOL)

-1.18

Class (ESOL)

Soluble

Log S (Ali)

-1.22

Class (Ali)

Soluble

Log S (SILICOS-IT)

-1.24

Class (SILICOS-IT)

Soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.65

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Flammable Acute Toxic Irritant

Signal

Danger

GHS Hazard Statements

H225 (66.7%): Highly Flammable liquid and vapor [Danger Flammable liquids] H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501