CAS RN: 82003-90-5
Daurichromenic acid
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.20250628 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS82003-90-5
- Purity/Analytical Methods: >99.0%
82003-90-5 / (2S)-2-(4,8-dimethylnona-3,7-dienyl)-5-hydroxy-2,7-dimethylchromene-6-carboxylic acid
Basic Information
CAS
82003-90-5
Multi CAS
Yes
Molecular Formula
C23H30O4
Molecular Weight
370.500000
Exact Mass
370.214409
InChI
InChI=1S/C23H30O4/c1-15(2)8-6-9-16(3)10-7-12-23(5)13-11-18-19(27-23)14-17(4)20(21(18)24)22(25)26/h8,10-11,13-14,24H,6-7,9,12H2,1-5H3,(H,25,26)/b16-10+/t23-/m0/s1
InChIKey
UYLFTJMQPWWDCW-MVLVPLOLSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
109.53
TPSA
66.76
LogP / Solubility
WLOGP
6.04
MLOGP
5.33
XLogP3
6.7
Consensus LogP
6.02
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.92
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)
-0.69
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
3
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