CAS RN: 1820618-83-4
2-(3,6-Dihexyloxyxanthen-9-yl)benzamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251225 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-082841
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1820618-83-4 / 2-(3,6-dihexoxy-9H-xanthen-9-yl)benzamide
Basic Information
CAS
1820618-83-4
Multi CAS
No
Molecular Formula
C32H39NO4
Molecular Weight
501.700000
Exact Mass
501.287909
SMILES
CCCCCCOC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OCCCCCC)C4=CC=CC=C4C(=O)N
InChI
InChI=1S/C32H39NO4/c1-3-5-7-11-19-35-23-15-17-27-29(21-23)37-30-22-24(36-20-12-8-6-4-2)16-18-28(30)31(27)25-13-9-10-14-26(25)32(33)34/h9-10,13-18,21-22,31H,3-8,11-12,19-20H2,1-2H3,(H2,33,34)
InChIKey
MTYUAGPQJCRKEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.41
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
148.14
TPSA
70.78
LogP / Solubility
WLOGP
7.99
MLOGP
7.07
XLogP3
8.4
Consensus LogP
7.82
Log S (ESOL)
-7.42
Class (ESOL)
Insoluble
Log S (Ali)
-9.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.11
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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