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CAS 87264-30-0 Machigline molecular structure lightbox
CAS RN: 87264-30-0

Machigline

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250222 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS87264-30-0
  • Purity/Analytical Methods: >99.0%
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87264-30-0 / 16-hydroxy-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one

Standard CAS: 87264-30-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87264-30-0
Multi CAS
No
Molecular Formula
C18H11NO5
Molecular Weight
321.300000
Exact Mass
321.063722
InChI
InChI=1S/C18H11NO5/c1-22-12-6-9-10(5-11(12)20)17(21)16-14-8(2-3-19-16)4-13-18(15(9)14)24-7-23-13/h2-6,20H,7H2,1H3
InChIKey
SGXQVIOTXFZYBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
84.95
TPSA
77.88

LogP / Solubility

WLOGP
2.89
MLOGP
2.56
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
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)
-2.63

Drug-likeness / Medicinal Chemistry

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

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