CAS RN: 201851-33-4
9-(IODOMETHYL)-9H-XANTHENE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250929 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS201851-33-4
- Purity/Analytical Methods: >99.0%
201851-33-4 / 9-(iodomethyl)-9H-xanthene
Basic Information
CAS
201851-33-4
Multi CAS
No
Molecular Formula
C14H11IO
Molecular Weight
322.140000
Exact Mass
321.985460
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)CI
InChI
InChI=1S/C14H11IO/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12H,9H2
InChIKey
MEVPAWYPDVSDLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
73.69
TPSA
9.23
LogP / Solubility
WLOGP
4.36
MLOGP
3.85
XLogP3
4.5
Consensus LogP
4.24
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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