CAS RN: 1782074-61-6
3,6-di(furan-2-yl)-9H-carbazole
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260613 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1782074-61-6
- Purity/Analytical Methods: >99.0%
1782074-61-6 / 3,6-bis(furan-2-yl)-9H-carbazole
Basic Information
CAS
1782074-61-6
Multi CAS
No
Molecular Formula
C20H13NO2
Molecular Weight
299.300000
Exact Mass
299.094629
SMILES
C1=COC(=C1)C2=CC3=C(C=C2)NC4=C3C=C(C=C4)C5=CC=CO5
InChI
InChI=1S/C20H13NO2/c1-3-19(22-9-1)13-5-7-17-15(11-13)16-12-14(6-8-18(16)21-17)20-4-2-10-23-20/h1-12,21H
InChIKey
YPYIESORSNBJHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
23
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
91.21
TPSA
42.07
LogP / Solubility
WLOGP
5.84
MLOGP
5.15
XLogP3
4.8
Consensus LogP
5.26
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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