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CAS 33708-72-4 pachypodol molecular structure lightbox
CAS RN: 33708-72-4

pachypodol

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2 package records0 with current stock1 grade group
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Batchno.20260223 1mg Out of stock Inquiry
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  • Product code: starshine_CAS33708-72-4
  • Purity/Analytical Methods: >99.0%
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33708-72-4 / 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxychromen-4-one

Standard CAS: 33708-72-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33708-72-4
Multi CAS
No
Molecular Formula
C18H16O7
Molecular Weight
344.300000
Exact Mass
344.089603
InChI
InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3
InChIKey
KQFUXLQBMQGNRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
90.91
TPSA
98.36

LogP / Solubility

WLOGP
2.9
MLOGP
2.57
XLogP3
3.1
Consensus LogP
2.86
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
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)
-2.76

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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