CAS RN: 1978388-55-4
Stachartin B
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.20260323 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1978388-55-4
- Purity/Analytical Methods: >99.0%
1978388-55-4 / (3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,6-dihydrofuro[3,4-g][1]benzofuran]-8'-one
Basic Information
CAS
1978388-55-4
Multi CAS
No
Molecular Formula
C23H30O5
Molecular Weight
386.500000
Exact Mass
386.209324
SMILES
C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(C=C5COC(=O)C5=C4O3)O)(CC[C@H](C2(C)C)O)C
InChI
InChI=1S/C23H30O5/c1-12-5-6-16-21(2,3)17(25)7-8-22(16,4)23(12)10-14-15(24)9-13-11-27-20(26)18(13)19(14)28-23/h9,12,16-17,24-25H,5-8,10-11H2,1-4H3/t12-,16+,17-,22+,23-/m1/s1
InChIKey
GSGCEZDYQORYOG-NIVYWPPISA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
103.31
TPSA
75.99
LogP / Solubility
WLOGP
3.97
MLOGP
3.52
XLogP3
4.3
Consensus LogP
3.93
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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