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CAS 88478-44-8 Murraxocin molecular structure lightbox
CAS RN: 88478-44-8

Murraxocin

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250525 5mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250221 5mg Out of stock Inquiry
  • Product code: starshine_CAS88478-44-8
  • Purity/Analytical Methods: >99.0%
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88478-44-8 / 8-(1-ethoxy-2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one

Standard CAS: 88478-44-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88478-44-8
Multi CAS
Yes
Molecular Formula
C17H20O5
Molecular Weight
304.340000
Exact Mass
304.131074
InChI
InChI=1S/C17H20O5/c1-5-21-17(15(19)10(2)3)14-12(20-4)8-6-11-7-9-13(18)22-16(11)14/h6-9,15,17,19H,2,5H2,1,3-4H3
InChIKey
GDLSTIJVZWVVPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
84.22
TPSA
68.9

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
2.6
Consensus LogP
2.64
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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