[email protected]
CAS 1666-02-0 4,6-DiMethyl-2-hydroxybenzaldehyde molecular structure lightbox
CAS RN: 1666-02-0

4,6-DiMethyl-2-hydroxybenzaldehyde

  • Product code: SSC-072711
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, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1666-02-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry
10g >95% 1 In Stock Beijing Inquiry

1666-02-0 / 2-hydroxy-4,6-dimethylbenzaldehyde

Standard CAS: 1666-02-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1666-02-0
Multi CAS
No
Molecular Formula
C9H10O2
Molecular Weight
150.170000
Exact Mass
150.068080
SMILES
CC1=CC(=C(C(=C1)O)C=O)C
InChI
InChI=1S/C9H10O2/c1-6-3-7(2)8(5-10)9(11)4-6/h3-5,11H,1-2H3
InChIKey
QVNGLKIFRNFPQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.97
TPSA
37.3

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
2.3
Consensus LogP
1.91
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us