CAS RN: 82508-33-6
Methyl pseudolarate A
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS82508-33-6
- Purity/Analytical Methods: >99.0%
82508-33-6 / methyl (2E,4E)-5-[(1R,7S,8S,9R)-7-acetyloxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate
Basic Information
CAS
82508-33-6
Multi CAS
Yes
Molecular Formula
C23H30O6
Molecular Weight
402.500000
Exact Mass
402.204239
InChI
InChI=1S/C23H30O6/c1-15-8-12-22-13-10-18(23(22,14-9-15)28-17(3)24)21(4,29-20(22)26)11-6-7-16(2)19(25)27-5/h6-8,11,18H,9-10,12-14H2,1-5H3/b11-6+,16-7+/t18-,21+,22+,23-/m0/s1
InChIKey
BLWMRHVRTCANOX-CNKWFCIJSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.61
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
106.67
TPSA
78.9
LogP / Solubility
WLOGP
3.81
MLOGP
3.37
XLogP3
3
Consensus LogP
3.39
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
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
Yes
Log Kp (skin permeation)
-2.47
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
6.5
Customers Also Viewed
-
Methylpseudolarate B
- CAS RN: 82508-34-7
- Product Code: starshine_CAS82508-34-7
- Purity/Analytical method: >99.0%
-
Demethylpseudolaric acid B
- CAS RN: 82508-35-8
- Product Code: starshine_CAS82508-35-8
- Purity/Analytical method: >99.0%
-
Demethoxydeacetoxypseudolaric acid B
- CAS RN: 82508-36-9
- Product Code: starshine_CAS82508-36-9
- Purity/Analytical method: >99.0%
-
Deacetylpseudolaric acid A
- CAS RN: 82508-37-0
- Product Code: starshine_CAS82508-37-0
- Purity/Analytical method: >99.0%
-
8-EPILOGANIC ACID
- CAS RN: 82509-41-9
- Product Code: starshine_CAS82509-41-9
- Purity/Analytical method: >99.0%
-
