CAS RN: 1232676-22-0
6alpha-Hydroxytomentosin
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.20250912 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1232676-22-0
- Purity/Analytical Methods: >99.0%
1232676-22-0 / (3aS,4S,7S,8aR)-4-hydroxy-7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
Basic Information
CAS
1232676-22-0
Multi CAS
No
Molecular Formula
C15H20O4
Molecular Weight
264.320000
Exact Mass
264.136159
SMILES
C[C@H]1C[C@@H]2[C@H]([C@H](C=C1CCC(=O)C)O)C(=C)C(=O)O2
InChI
InChI=1S/C15H20O4/c1-8-6-13-14(10(3)15(18)19-13)12(17)7-11(8)5-4-9(2)16/h7-8,12-14,17H,3-6H2,1-2H3/t8-,12-,13+,14-/m0/s1
InChIKey
ZKFQTXFRYQAIAT-IOEYQFCTSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.3
TPSA
63.6
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
0.8
Consensus LogP
1.38
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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