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CAS 1616592-60-9 Erythrinin F molecular structure lightbox
CAS RN: 1616592-60-9

Erythrinin F

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1616592-60-9
  • Purity/Analytical Methods: >99.0%
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1616592-60-9 / (2S,3S)-3,4-dihydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one

Standard CAS: 1616592-60-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1616592-60-9
Multi CAS
No
Molecular Formula
C20H18O7
Molecular Weight
370.400000
Exact Mass
370.105253
SMILES
CC(C)([C@@H]1[C@H](C2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O)O)O
InChI
InChI=1S/C20H18O7/c1-20(2,25)19-18(24)15-13(27-19)7-12-14(17(15)23)16(22)11(8-26-12)9-3-5-10(21)6-4-9/h3-8,18-19,21,23-25H,1-2H3
InChIKey
DMNFLFWDOVOSQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
4
Molar refractivity
96.92
TPSA
120.36

LogP / Solubility

WLOGP
2.44
MLOGP
2.16
XLogP3
2.5
Consensus LogP
2.37
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
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
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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