![CAS 920985-42-8 (S)-2,2′,3,3′-tetrahydro-1,1′-spirobi[indene]-7,7′-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/920985-42-8.gif)
CAS RN: 920985-42-8
(S)-2,2′,3,3′-tetrahydro-1,1′-spirobi[indene]-7,7′-dicarboxylic acid
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260622 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS920985-42-8
- Purity/Analytical Methods: >99.0%
920985-42-8 / 3,3'-spirobi[1,2-dihydroindene]-4,4'-dicarboxylic acid
Basic Information
CAS
920985-42-8
Multi CAS
No
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
Customers Also Viewed
-
![CAS 921061-07-6 [1-(2-Phenyl-1,3-thiazol-5-yl)ethyl]amine dihydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[1-(2-Phenyl-1,3-thiazol-5-yl)ethyl]amine dihydrochloride
- CAS RN: 921061-07-6
- Product Code: SSC-205684
-
-
N-Methyl-1-(5-methyl-1,3-thiazol-2-yl)methanamine dihydrochloride
- CAS RN: 921145-14-4
- Product Code: SSC-205687
-
1H-INDOLE-3-CARBOXYLIC ACID,6-CHLORO-,METHYL ESTER
- CAS RN: 921194-97-0
- Product Code: SSC-205693
-
(S)-3-(4-Aminophenyl)-2-methoxypr opanoic acid
- CAS RN: 921195-93-9
- Product Code: SSC-205694
-
4-(2-Oxiranyl)-1-piperidinecarboxylic acid 1,1-dimethylethylester
- CAS RN: 921199-39-5
- Product Code: SSC-205695
![CAS 921061-07-6 [1-(2-Phenyl-1,3-thiazol-5-yl)ethyl]amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52554508.gif)
