CAS RN: 90826-58-7
Angelicolide
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.20260425 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS90826-58-7
- Purity/Analytical Methods: >99.0%
90826-58-7 / Angelicolide
Basic Information
CAS
90826-58-7
Multi CAS
Yes
Molecular Formula
C24H28O4
Molecular Weight
380.500000
Exact Mass
380.198759
InChI
InChI=1S/C24H28O4/c1-3-9-19-20(10-4-2)24(18-14-8-6-12-16(18)22(26)28-24)23(19)17-13-7-5-11-15(17)21(25)27-23/h5-6,11-12,19-20H,3-4,7-10,13-14H2,1-2H3/t19-,20-,23+,24+/m0/s1
InChIKey
LSDFCPDLBLFHAT-UWXQAFAOSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.58
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
105.24
TPSA
52.6
LogP / Solubility
WLOGP
4.72
MLOGP
4.17
XLogP3
4.4
Consensus LogP
4.43
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5
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