CAS RN: 24513-41-5
Momethyl kolavate
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.20251019 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS24513-41-5
- Purity/Analytical Methods: >99.0%
24513-41-5 / (4aR,5S,6R,8aR)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Basic Information
CAS
24513-41-5
Multi CAS
No
Molecular Formula
C21H32O4
Molecular Weight
348.500000
Exact Mass
348.230060
SMILES
C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/C(=O)OC)/C)CCC=C2C(=O)O)C
InChI
InChI=1S/C21H32O4/c1-14(13-18(22)25-5)9-11-20(3)15(2)10-12-21(4)16(19(23)24)7-6-8-17(20)21/h7,13,15,17H,6,8-12H2,1-5H3,(H,23,24)/b14-13+/t15-,17-,20+,21+/m1/s1
InChIKey
CCDSRPQULZAXRF-LIECZFJOSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
98.06
TPSA
63.6
LogP / Solubility
WLOGP
4.75
MLOGP
4.2
XLogP3
5.8
Consensus LogP
4.92
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.47
Class (SILICOS-IT)
Insoluble
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)
-1.47
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
4.5
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