CAS 14376-79-5 3,3,5,5-TETRAMETHYLCYCLOHEXANONE molecular structure

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CAS RN: 14376-79-5

3,3,5,5-TETRAMETHYLCYCLOHEXANONE

Product Availability

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6 package records6 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250719	100g	In stock	Shanghai	Inquiry
Batchno.20250419	10g	In stock	Shanghai, Shenzhen, Wuhan, Chengdu	Inquiry
Batchno.20260502	1g	In stock	Shanghai, Tianjin, Chengdu	Inquiry
Batchno.20250812	25g	In stock	Shanghai	Inquiry
Batchno.20250223	500g	In stock	Shanghai	Inquiry
Batchno.20250816	5g	In stock	Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu	Inquiry

Product code: SSC-055095

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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: 10g
Available purity: ≥97%
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 14376-79-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
10g	≥97%	0 Out of Stock	Beijing	Inquiry

14376-79-5 / 3,3,5,5-tetramethylcyclohexan-1-one

Standard CAS: 14376-79-5 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

14376-79-5

Multi CAS

Molecular Formula

C10H18O

Molecular Weight

154.250000

Exact Mass

154.135765

SMILES

CC1(CC(=O)CC(C1)(C)C)C

InChI

InChI=1S/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4H3

InChIKey

OQJMHUOCLRCSED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.9

H-bond acceptors

Molar refractivity

46.42

TPSA

17.07

LogP / Solubility

WLOGP

2.79

MLOGP

2.45

XLogP3

2.6

Consensus LogP

2.61

Log S (ESOL)

-2.56

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.84

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.98

Class (SILICOS-IT)

Moderately 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)

-1.68

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

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 (50%): 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