[email protected]
CAS 119-52-8 Anisoin molecular structure lightbox
CAS RN: 119-52-8

Anisoin

Product Availability

Choose a grade to view its available package options.

10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260308 100g In stock Inquiry
Batchno.20250924 25g In stock Inquiry
Batchno.20250701 500g In stock Inquiry
Batchno.20250204 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250727 100g In stock Shanghai Inquiry
Batchno.20250916 10g In stock Shanghai Inquiry
Batchno.20260326 25g In stock Shanghai Inquiry
Batchno.20260503 500g Out of stock Inquiry
Batchno.20260422 5g In stock Shanghai, Shenzhen Inquiry
Batchno.20250207 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-019239
GET A QUOTE
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: 25g, 100g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 119-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

119-52-8 / 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone

Anisoin | 4,4'-Dimethoxybenzoin | Ethanone, 2-hydroxy-1,2-bis(4-methoxyphenyl)-

Standard CAS: 119-52-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
119-52-8
Multi CAS
Yes
Molecular Formula
C16H16O4
Molecular Weight
272.290000
Exact Mass
272.104859
SMILES
COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)O
InChI
InChI=1S/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3
InChIKey
LRRQSCPPOIUNGX-UHFFFAOYSA-N
Synonyms
Anisoin 4,4'-Dimethoxybenzoin Ethanone, 2-hydroxy-1,2-bis(4-methoxyphenyl)- NSC-7960 NSC-8504

Physical Properties

Physical Description
Crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.28
TPSA
55.76

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.1
Consensus LogP
2.34
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
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

Customers Also Viewed

Get In Touch

Contact Us