![CAS 856407-39-1 (R)-2,2′,3,3′-Tetrahydro-1,1′-spirobi[1H-indene]-7,7′-dicarboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/856407-39-1.gif)
CAS RN: 856407-39-1
(R)-2,2′,3,3′-Tetrahydro-1,1′-spirobi[1H-indene]-7,7′-dicarboxylic Acid
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250818 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS856407-39-1
- Purity/Analytical Methods: >99.0%
856407-39-1 / 3,3'-spirobi[1,2-dihydroindene]-4,4'-dicarboxylic acid
Basic Information
CAS
856407-39-1
Multi CAS
Yes
Molecular Formula
C19H16O4
Molecular Weight
308.300000
Exact Mass
308.104859
InChI
InChI=1S/C19H16O4/c20-17(21)13-5-1-3-11-7-9-19(15(11)13)10-8-12-4-2-6-14(16(12)19)18(22)23/h1-6H,7-10H2,(H,20,21)(H,22,23)
InChIKey
VKMBXISGZLADKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
84.22
TPSA
74.6
LogP / Solubility
WLOGP
3.26
MLOGP
2.88
XLogP3
3.8
Consensus LogP
3.31
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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