CAS RN: 62820-11-5
1a,1b,2,3,4,5,7a,8,8a,9,10,10a-Dodecahydro-2-hydroxy-6-(hydroxymethyl) -3,8,8,10a-tetramethyl-5-oxo-4aH-cyclopenta(3,4)cyclopropa(8,9)cycloun dec(1,2-b)oxiren-4a-yl ester
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.20251119 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS62820-11-5
- Purity/Analytical Methods: >99.0%
62820-11-5 / [16-hydroxy-11-(hydroxymethyl)-4,8,8,15-tetramethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-13-yl] 3-phenylprop-2-enoate
Basic Information
CAS
62820-11-5
Multi CAS
Yes
Molecular Formula
C29H36O6
Molecular Weight
480.600000
Exact Mass
480.251189
InChI
InChI=1S/C29H36O6/c1-17-15-29(34-22(31)11-10-18-8-6-5-7-9-18)23(24(17)32)26-28(4,35-26)13-12-20-21(27(20,2)3)14-19(16-30)25(29)33/h5-11,14,17,20-21,23-24,26,30,32H,12-13,15-16H2,1-4H3
InChIKey
ZLHWPIKKGZWBKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
131.03
TPSA
96.36
LogP / Solubility
WLOGP
3.71
MLOGP
3.3
XLogP3
4.4
Consensus LogP
3.8
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
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