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CAS 4712-12-3 4′-METHYLCHRYSOERIOL molecular structure lightbox
CAS RN: 4712-12-3

4′-METHYLCHRYSOERIOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250207 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS4712-12-3
  • Purity/Analytical Methods: >99.0%
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4712-12-3 / 2-(3,4-dimethoxyphenyl)-5,7-dihydroxychromen-4-one

Standard CAS: 4712-12-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4712-12-3
Multi CAS
Yes
Molecular Formula
C17H14O6
Molecular Weight
314.290000
Exact Mass
314.079038
InChI
InChI=1S/C17H14O6/c1-21-13-4-3-9(5-15(13)22-2)14-8-12(20)17-11(19)6-10(18)7-16(17)23-14/h3-8,18-19H,1-2H3
InChIKey
AOLOMULCAJQEIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
84.35
TPSA
89.13

LogP / Solubility

WLOGP
2.89
MLOGP
2.56
XLogP3
2
Consensus LogP
2.48
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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