![CAS 1800333-59-8 9-methylspiro[benzo[c]fluorene-7,9′-xanthene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1800333-59-8.png)
CAS RN: 1800333-59-8
9-methylspiro[benzo[c]fluorene-7,9′-xanthene]
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.20250518 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1800333-59-8
- Purity/Analytical Methods: >99.0%
1800333-59-8 / 9-chlorospiro[benzo[c]fluorene-7,9'-fluorene]
Basic Information
CAS
1800333-59-8
Multi CAS
No
Molecular Formula
C29H17Cl
Molecular Weight
400.900000
Exact Mass
400.101878
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=C(C35C6=CC=CC=C6C7=CC=CC=C57)C=C(C=C4)Cl
InChI
InChI=1S/C29H17Cl/c30-19-14-15-23-27(17-19)29(26-16-13-18-7-1-2-8-20(18)28(23)26)24-11-5-3-9-21(24)22-10-4-6-12-25(22)29/h1-17H
InChIKey
LWYIGQDZUYHYBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
28
Fraction Csp3
0.03
Molar refractivity
125.26
TPSA
0.0000
LogP / Solubility
WLOGP
7.84
MLOGP
6.92
XLogP3
8.3
Consensus LogP
7.69
Log S (ESOL)
-7.95
Class (ESOL)
Insoluble
Log S (Ali)
-8.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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