CAS RN: 22910-60-7
Ginkgolic acid
Product Availability
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11 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251113 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS22910-60-7
- Purity/Analytical Methods: >99.0%
22910-60-7 / 2-hydroxy-6-pentadec-8-enylbenzoic acid
Basic Information
CAS
22910-60-7
Multi CAS
No
Molecular Formula
C22H34O3
Molecular Weight
346.500000
Exact Mass
346.250795
SMILES
CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
InChI
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-
InChIKey
YXHVCZZLWZYHSA-FPLPWBNLSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
104.37
TPSA
57.53
LogP / Solubility
WLOGP
6.5
MLOGP
5.74
XLogP3
8.5
Consensus LogP
6.91
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.99
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)
-0.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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