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CAS 250293-31-3 Excavatin M molecular structure lightbox
CAS RN: 250293-31-3

Excavatin M

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250420 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS250293-31-3
  • Purity/Analytical Methods: >99.0%
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250293-31-3 / 7-[[3-[(4-hydroxy-4-methyl-5-oxooxolan-2-yl)methyl]-3-methyloxiran-2-yl]methoxy]chromen-2-one

Standard CAS: 250293-31-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
250293-31-3
Multi CAS
Yes
Molecular Formula
C19H20O7
Molecular Weight
360.400000
Exact Mass
360.120903
InChI
InChI=1S/C19H20O7/c1-18(22)8-13(24-17(18)21)9-19(2)15(26-19)10-23-12-5-3-11-4-6-16(20)25-14(11)7-12/h3-7,13,15,22H,8-10H2,1-2H3
InChIKey
UMYAEKVHXDURJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
90.99
TPSA
98.5

LogP / Solubility

WLOGP
1.79
MLOGP
1.59
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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