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CAS 34170-18-8 4H-1-Benzopyran-4-one, 3,5,6,7,8-pentamethoxy-2-(4-methoxyphenyl)- molecular structure lightbox
CAS RN: 34170-18-8

4H-1-Benzopyran-4-one, 3,5,6,7,8-pentamethoxy-2-(4-methoxyphenyl)-

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260213 10mg / 20mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251006 5mg Out of stock Inquiry
  • Product code: starshine_CAS34170-18-8
  • Purity/Analytical Methods: >99.0%
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34170-18-8 / 3,5,6,7,8-pentamethoxy-2-(4-methoxyphenyl)chromen-4-one

Standard CAS: 34170-18-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34170-18-8
Multi CAS
No
Molecular Formula
C21H22O8
Molecular Weight
402.400000
Exact Mass
402.131468
InChI
InChI=1S/C21H22O8/c1-23-12-9-7-11(8-10-12)15-18(25-3)14(22)13-16(24-2)19(26-4)21(28-6)20(27-5)17(13)29-15/h7-10H,1-6H3
InChIKey
OBIOZWXPDBWYHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
8
Molar refractivity
107.23
TPSA
85.59

LogP / Solubility

WLOGP
3.51
MLOGP
3.11
XLogP3
3.2
Consensus LogP
3.27
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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