CAS RN: 2055882-21-6
Pterocarpadiol 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.20260315 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2055882-21-6
- Purity/Analytical Methods: >99.0%
2055882-21-6 / (1S,12R,13S)-1,13-dihydroxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,14,17-pentaen-16-one
Basic Information
CAS
2055882-21-6
Multi CAS
No
Molecular Formula
C16H12O7
Molecular Weight
316.260000
Exact Mass
316.058303
SMILES
C1[C@@]2([C@H]([C@]3(C=CC(=O)C=C3O1)O)OC4=CC5=C(C=C42)OCO5)O
InChI
InChI=1S/C16H12O7/c17-8-1-2-15(18)13(3-8)20-6-16(19)9-4-11-12(22-7-21-11)5-10(9)23-14(15)16/h1-5,14,18-19H,6-7H2/t14-,15+,16+/m0/s1
InChIKey
GLFFSZJIPRAXLU-ARFHVFGLSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.31
H-bond acceptors
7
H-bond donors
2
Molar refractivity
74.01
TPSA
94.45
LogP / Solubility
WLOGP
0.15
MLOGP
0.14
XLogP3
-0.4
Consensus LogP
-0.04
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.84
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)
-4.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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