CAS RN: 1772588-99-4
26-O-Acetylsootepin A
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.20250823 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1772588-99-4
- Purity/Analytical Methods: >99.0%
1772588-99-4 / methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-14-[(E,2R)-7-acetyloxy-6-methylhept-5-en-2-yl]-11,15-dimethyl-5-methylidene-6-oxo-7-oxapentacyclo[8.7.0.01,3.04,8.011,15]heptadecan-3-yl]propanoate
Basic Information
CAS
1772588-99-4
Multi CAS
No
Molecular Formula
C33H48O6
Molecular Weight
540.700000
Exact Mass
540.345089
SMILES
C[C@H](CC/C=C(\C)/COC(=O)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C[C@@H]5[C@H]([C@]3(C4)CCC(=O)OC)C(=C)C(=O)O5)C)C
InChI
InChI=1S/C33H48O6/c1-20(18-38-23(4)34)9-8-10-21(2)24-11-13-31(6)26-17-25-28(22(3)29(36)39-25)33(14-12-27(35)37-7)19-32(26,33)16-15-30(24,31)5/h9,21,24-26,28H,3,8,10-19H2,1-2,4-7H3/b20-9+/t21-,24-,25-,26+,28-,30-,31+,32+,33-/m1/s1
InChIKey
FIRSFLGJMZPSJW-ZVSFRYLWSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Fraction Csp3
0.79
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
148.31
TPSA
78.9
LogP / Solubility
WLOGP
6.58
MLOGP
5.83
XLogP3
7.6
Consensus LogP
6.67
Log S (ESOL)
-6.74
Class (ESOL)
Insoluble
Log S (Ali)
-8.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.35
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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