CAS RN: 83543-37-7
Urushiol (15:3)
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.20251231 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS83543-37-7
- Purity/Analytical Methods: >99.0%
83543-37-7 / 3-pentadeca-8,11,14-trienylbenzene-1,2-diol
Basic Information
CAS
83543-37-7
Multi CAS
Yes
Molecular Formula
C21H30O2
Molecular Weight
314.500000
Exact Mass
314.224580
InChI
InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h2,4-5,7-8,15,17-18,22-23H,1,3,6,9-14,16H2
InChIKey
RUWDFSXBACIZCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
98.89
TPSA
40.46
LogP / Solubility
WLOGP
6.06
MLOGP
5.35
XLogP3
7.2
Consensus LogP
6.2
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.17
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)
-0.34
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
Customers Also Viewed
-
-
4-CHLORO-2,5,6-TRIMETHYLTHIENO[2,3-D]PYRIMIDINE
- CAS RN: 83548-58-7
- Product Code: starshine_CAS83548-58-7
- Purity/Analytical method: >99.0%
-
4-CHLORO-5,6-DIMETHYL-2-PHENYLTHIENO[2,3-D]PYRIMIDINE
- CAS RN: 83548-60-1
- Product Code: starshine_CAS83548-60-1
- Purity/Analytical method: >99.0%
-
4-CHLORO-2-METHYL-5-PHENYLTHIENO[2,3-D]PYRIMIDINE
- CAS RN: 83548-61-2
- Product Code: starshine_CAS83548-61-2
- Purity/Analytical method: >99.0%
-
-
![CAS 83548-58-7 4-CHLORO-2,5,6-TRIMETHYLTHIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83548-58-7.gif)
![CAS 83548-60-1 4-CHLORO-5,6-DIMETHYL-2-PHENYLTHIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83548-60-1.gif)
![CAS 83548-61-2 4-CHLORO-2-METHYL-5-PHENYLTHIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83548-61-2.gif)
