CAS RN: 350593-30-5
Chiricanine A
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.20260326 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS350593-30-5
- Purity/Analytical Methods: >99.0%
350593-30-5 / 2-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]benzene-1,3-diol
Basic Information
CAS
350593-30-5
Multi CAS
No
Molecular Formula
C19H20O2
Molecular Weight
280.400000
Exact Mass
280.146330
InChI
InChI=1S/C19H20O2/c1-14(2)8-11-17-18(20)12-16(13-19(17)21)10-9-15-6-4-3-5-7-15/h3-10,12-13,20-21H,11H2,1-2H3/b10-9+
InChIKey
LJFRYKIVTYCTIO-MDZDMXLPSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.16
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
88.28
TPSA
40.46
LogP / Solubility
WLOGP
4.78
MLOGP
4.21
XLogP3
5.4
Consensus LogP
4.8
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
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)
-1.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
5-CHLORO-2-METHYL-NICOTINIC ACID METHYL ESTER
- CAS RN: 350597-49-8
- Product Code: SSC-141759
-
-
4-Chloro-6-trifluoromethyl-pyridine-2-carboxylic acid methyl ester
- CAS RN: 350602-08-3
- Product Code: SSC-141763
-
4-Amino-6-trifluoromethyl-pyridine-2-carboxylic acid methyl ester
- CAS RN: 350602-09-4
- Product Code: SSC-141764
-
