CAS RN: 3010-80-8
4,4′,4”-TRICHLOROTRITYL ALCOHOL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260414 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3010-80-8
- Purity/Analytical Methods: >99.0%
3010-80-8 / tris(4-chlorophenyl)methanol
Basic Information
CAS
3010-80-8
Multi CAS
Yes
Molecular Formula
C19H13CL3O
Molecular Weight
363.700000
Exact Mass
362.003198
InChI
InChI=1S/C19H13Cl3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H
InChIKey
BPFKTJMHOWDJKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
96.46
TPSA
20.23
LogP / Solubility
WLOGP
5.93
MLOGP
5.24
XLogP3
6.1
Consensus LogP
5.76
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-6.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
