[email protected]
CAS 25892-95-9 1-(4-(benzyloxy)-6-hydroxy-2,3-dimethoxyphenyl)ethanone molecular structure lightbox
CAS RN: 25892-95-9

1-(4-(benzyloxy)-6-hydroxy-2,3-dimethoxyphenyl)ethanone

  • Product code: SSC-122536
GET A QUOTE
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: 0.25g, 0.1g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 25892-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 3 In Stock Shanghai Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

25892-95-9 / 1-(6-hydroxy-2,3-dimethoxy-4-phenylmethoxyphenyl)ethanone

Standard CAS: 25892-95-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25892-95-9
Multi CAS
No
Molecular Formula
C17H18O5
Molecular Weight
302.320000
Exact Mass
302.115424
SMILES
CC(=O)C1=C(C(=C(C=C1O)OCC2=CC=CC=C2)OC)OC
InChI
InChI=1S/C17H18O5/c1-11(18)15-13(19)9-14(16(20-2)17(15)21-3)22-10-12-7-5-4-6-8-12/h4-9,19H,10H2,1-3H3
InChIKey
DHPZTYWSWZIJME-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.99
TPSA
64.99

LogP / Solubility

WLOGP
3.19
MLOGP
2.82
XLogP3
3.2
Consensus LogP
3.07
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us