CAS RN: 1616592-61-0
Erythrinin G
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.20250202 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1616592-61-0
- Purity/Analytical Methods: >99.0%
1616592-61-0 / (3R)-3,5-dihydroxy-9-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
Basic Information
CAS
1616592-61-0
Multi CAS
No
Molecular Formula
C20H18O6
Molecular Weight
354.400000
Exact Mass
354.110338
SMILES
CC1([C@@H](CC2=C(O1)C3=C(C=C2O)OC=C(C3=O)C4=CC=C(C=C4)O)O)C
InChI
InChI=1S/C20H18O6/c1-20(2)16(23)7-12-14(22)8-15-17(19(12)26-20)18(24)13(9-25-15)10-3-5-11(21)6-4-10/h3-6,8-9,16,21-23H,7H2,1-2H3
InChIKey
HFVFEMFAVPWVDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
95.67
TPSA
100.13
LogP / Solubility
WLOGP
2.95
MLOGP
2.61
XLogP3
2.5
Consensus LogP
2.69
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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