[email protected]
CAS 80-06-8 4,4′-Dichloro-α-methylbenzhydrol molecular structure lightbox
CAS RN: 80-06-8

4,4′-Dichloro-α-methylbenzhydrol

  • Product code: SSC-188986
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
  • Available purity: ≥95%
  • 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 80-06-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

80-06-8 / 1,1-bis(4-chlorophenyl)ethanol

Standard CAS: 80-06-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
80-06-8
Multi CAS
No
Molecular Formula
C14H12CL2O
Molecular Weight
267.100000
Exact Mass
266.026520
InChI
InChI=1S/C14H12Cl2O/c1-14(17,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,17H,1H3
InChIKey
URYAFVKLYSEINW-UHFFFAOYSA-N

Physical Properties

Melting Point
70 °C
Physical Description
Colorless or white solid; [HSDB]
Appearance
WHITE SOLID Colorless crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.58
TPSA
20.23

LogP / Solubility

WLOGP
4.25
MLOGP
3.75
XLogP3
2.8
Consensus LogP
3.6
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.33

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us