CAS RN: 60761-79-7
ent-kauran-17,19-dioic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250816 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS60761-79-7
- Purity/Analytical Methods: >99.0%
60761-79-7 / 5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-dicarboxylic acid
Basic Information
CAS
60761-79-7
Multi CAS
Yes
Molecular Formula
C20H30O4
Molecular Weight
334.400000
Exact Mass
334.214409
InChI
InChI=1S/C20H30O4/c1-18-7-3-8-19(2,17(23)24)14(18)6-9-20-10-12(4-5-15(18)20)13(11-20)16(21)22/h12-15H,3-11H2,1-2H3,(H,21,22)(H,23,24)
InChIKey
HITLMPHPGUZLGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
89.43
TPSA
74.6
LogP / Solubility
WLOGP
4.18
MLOGP
3.7
XLogP3
4.8
Consensus LogP
4.23
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9.5
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