CAS RN: 1878151-58-6
Kumbicin C
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.20250417 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1878151-58-6
- Purity/Analytical Methods: >99.0%
1878151-58-6 / 5,8-bis(1H-indol-3-yl)-7-methoxy-2,2-dimethylchromen-6-ol
Basic Information
CAS
1878151-58-6
Multi CAS
No
Molecular Formula
C28H24N2O3
Molecular Weight
436.500000
Exact Mass
436.178693
SMILES
CC1(C=CC2=C(C(=C(C(=C2O1)C3=CNC4=CC=CC=C43)OC)O)C5=CNC6=CC=CC=C65)C
InChI
InChI=1S/C28H24N2O3/c1-28(2)13-12-18-23(19-14-29-21-10-6-4-8-16(19)21)25(31)27(32-3)24(26(18)33-28)20-15-30-22-11-7-5-9-17(20)22/h4-15,29-31H,1-3H3
InChIKey
XQUDQEFLDBAHTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
132.99
TPSA
70.27
LogP / Solubility
WLOGP
6.88
MLOGP
6.08
XLogP3
6
Consensus LogP
6.32
Log S (ESOL)
-7.22
Class (ESOL)
Insoluble
Log S (Ali)
-8.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.57
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)
-0.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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