[email protected]
CAS 56469-10-4 5-(1,1-Dimethylheptyl)resorcinol molecular structure lightbox
CAS RN: 56469-10-4

5-(1,1-Dimethylheptyl)resorcinol

  • Product code: SSC-164431
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: 1g, 5g, 0.1g, 0.25g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 6
  • 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 56469-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 2 In Stock Shenzhen Inquiry
5g ≥98% 2 In Stock Hong Kong Inquiry
0.1g ≥98% 1 In Stock Beijing Inquiry
0.25g ≥98% 1 In Stock Hong Kong Inquiry
10g ≥98% 1 In Stock Shanghai Inquiry
25g ≥98% 1 In Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

56469-10-4 / 5-(2-methyloctan-2-yl)benzene-1,3-diol

Standard CAS: 56469-10-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56469-10-4
Multi CAS
Yes
Molecular Formula
C15H24O2
Molecular Weight
236.350000
Exact Mass
236.177630
InChI
InChI=1S/C15H24O2/c1-4-5-6-7-8-15(2,3)12-9-13(16)11-14(17)10-12/h9-11,16-17H,4-8H2,1-3H3
InChIKey
GWBGUJWRDDDVBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
71.56
TPSA
40.46

LogP / Solubility

WLOGP
4.35
MLOGP
3.83
XLogP3
5.6
Consensus LogP
4.59
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us