CAS RN: 70110-60-0
1,3-DIHYDROXY-5-TRICOSYLBENZEN
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250618 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS70110-60-0
- Purity/Analytical Methods: >99.0%
70110-60-0 / 5-tricosylbenzene-1,3-diol
Basic Information
CAS
70110-60-0
Multi CAS
No
Molecular Formula
C29H52O2
Molecular Weight
432.700000
Exact Mass
432.396731
InChI
InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3
InChIKey
OHTBGMREZYLZQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.79
Rotatable bonds
22
H-bond acceptors
2
H-bond donors
2
Molar refractivity
136.11
TPSA
40.46
LogP / Solubility
WLOGP
9.85
MLOGP
8.7
XLogP3
13.4
Consensus LogP
10.65
Log S (ESOL)
-7.42
Class (ESOL)
Insoluble
Log S (Ali)
-10.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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