CAS RN: 349487-98-5
Methyl dodonate A acetate
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.20250403 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS349487-98-5
- Purity/Analytical Methods: >99.0%
349487-98-5 / methyl (1aS,4S,4aR,5S,6R,8aS)-4-acetyloxy-5-[2-(furan-3-yl)ethyl]-5,6-dimethyl-1,4,4a,6,7,8-hexahydrocyclopropa[j]naphthalene-1a-carboxylate
Basic Information
CAS
349487-98-5
Multi CAS
Yes
Molecular Formula
C23H30O5
Molecular Weight
386.500000
Exact Mass
386.209324
InChI
InChI=1S/C23H30O5/c1-15-5-10-22-14-23(22,20(25)26-4)11-7-18(28-16(2)24)19(22)21(15,3)9-6-17-8-12-27-13-17/h7-8,11-13,15,18-19H,5-6,9-10,14H2,1-4H3/t15-,18+,19-,21+,22+,23+/m1/s1
InChIKey
KVAOLDXEOWNRQY-WMJZEDCSSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
5
Fraction Csp3
0.65
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
103.22
TPSA
65.74
LogP / Solubility
WLOGP
4.32
MLOGP
3.82
XLogP3
4.6
Consensus LogP
4.25
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
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
Yes
Log Kp (skin permeation)
-2.01
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
7
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