CAS RN: 194145-29-4
Rivulobirin B
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.20260424 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS194145-29-4
- Purity/Analytical Methods: >99.0%
194145-29-4 / 9-hydroxy-4-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxyfuro[3,2-g]chromen-7-one
Basic Information
CAS
194145-29-4
Multi CAS
No
Molecular Formula
C23H12O9
Molecular Weight
432.300000
Exact Mass
432.048132
SMILES
COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC4=C5C=COC5=C(C6=C4C=CC(=O)O6)O
InChI
InChI=1S/C23H12O9/c1-27-17-10-2-4-15(25)31-22(10)23(21-12(17)6-9-29-21)32-18-11-3-5-14(24)30-20(11)16(26)19-13(18)7-8-28-19/h2-9,26H,1H3
InChIKey
QYUOMKFQMCEXAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
26
Fraction Csp3
0.04
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
1
Molar refractivity
112.8
TPSA
125.39
LogP / Solubility
WLOGP
4.9
MLOGP
4.34
XLogP3
3.8
Consensus LogP
4.35
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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