CAS RN: 132342-55-3
Methyl isocostate
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.20250606 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS132342-55-3
- Purity/Analytical Methods: >99.0%
132342-55-3 / methyl 2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoate
Basic Information
CAS
132342-55-3
Multi CAS
No
Molecular Formula
C16H24O2
Molecular Weight
248.360000
Exact Mass
248.177630
SMILES
CC1=C2C[C@@H](CC[C@]2(CCC1)C)C(=C)C(=O)OC
InChI
InChI=1S/C16H24O2/c1-11-6-5-8-16(3)9-7-13(10-14(11)16)12(2)15(17)18-4/h13H,2,5-10H2,1,3-4H3/t13-,16-/m1/s1
InChIKey
OWZSHJKGKHTKDS-CZUORRHYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.69
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
73.16
TPSA
26.3
LogP / Solubility
WLOGP
4.02
MLOGP
3.55
XLogP3
3.9
Consensus LogP
3.82
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.38
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
2.5
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