CAS RN: 213528-23-5
Glochidiolide
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.20250909 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS213528-23-5
- Purity/Analytical Methods: >99.0%
213528-23-5 / (6S,7aR)-7a-[(3aS,6S,7aS)-6-hydroxy-2-oxo-3,6,7,7a-tetrahydro-1-benzofuran-3a-yl]-6-hydroxy-6,7-dihydro-1-benzofuran-2-one
Basic Information
CAS
213528-23-5
Multi CAS
No
Molecular Formula
C16H16O6
Molecular Weight
304.290000
Exact Mass
304.094688
SMILES
C1[C@@H](C=C[C@@]2([C@H]1OC(=O)C2)[C@@]34C[C@@H](C=CC3=CC(=O)O4)O)O
InChI
InChI=1S/C16H16O6/c17-10-3-4-15(8-14(20)21-12(15)6-10)16-7-11(18)2-1-9(16)5-13(19)22-16/h1-5,10-12,17-18H,6-8H2/t10-,11-,12+,15-,16-/m1/s1
InChIKey
MNYIUJSJKZPDLL-ZTJZGAFRSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
73.36
TPSA
93.06
LogP / Solubility
WLOGP
0.15
MLOGP
0.15
XLogP3
-0.4
Consensus LogP
-0.03
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-4.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5.5
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