CAS RN: 1528745-88-1
ChartarlactaM 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.20260318 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1528745-88-1
- Purity/Analytical Methods: >99.0%
1528745-88-1 / (3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-furo[2,3-e]isoindole]-6',8'-dione
Basic Information
CAS
1528745-88-1
Multi CAS
No
Molecular Formula
C23H29NO5
Molecular Weight
399.500000
Exact Mass
399.204573
SMILES
C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(C=C5C(=C4O3)C(=O)NC5=O)O)(CC[C@H](C2(C)C)O)C
InChI
InChI=1S/C23H29NO5/c1-11-5-6-15-21(2,3)16(26)7-8-22(15,4)23(11)10-13-14(25)9-12-17(18(13)29-23)20(28)24-19(12)27/h9,11,15-16,25-26H,5-8,10H2,1-4H3,(H,24,27,28)/t11-,15+,16-,22+,23-/m1/s1
InChIKey
JGLXRTLGZYXTLO-NMBLNHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.65
H-bond acceptors
5
H-bond donors
3
Molar refractivity
105.98
TPSA
95.86
LogP / Solubility
WLOGP
3.18
MLOGP
2.82
XLogP3
3.7
Consensus LogP
3.23
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.9
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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