CAS RN: 83258-37-1
Urushiol (15:2)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250801 | 10mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS83258-37-1
- Purity/Analytical Methods: >99.0%
83258-37-1 / 3-pentadeca-8,11-dienylbenzene-1,2-diol
Basic Information
CAS
83258-37-1
Multi CAS
Yes
Molecular Formula
C21H32O2
Molecular Weight
316.500000
Exact Mass
316.240230
InChI
InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4-,8-7-
InChIKey
RMTXUPIIESNLPW-UTOQUPLUSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
98.98
TPSA
40.46
LogP / Solubility
WLOGP
6.28
MLOGP
5.54
XLogP3
7.4
Consensus LogP
6.41
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
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
No
Log Kp (skin permeation)
-0.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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