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CAS 30485-16-6 monensin B molecular structure lightbox
CAS RN: 30485-16-6

monensin B

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250805 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS30485-16-6
  • Purity/Analytical Methods: >99.0%
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30485-16-6 / 4-[9-hydroxy-3-[5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid

Standard CAS: 30485-16-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30485-16-6
Multi CAS
Yes
Molecular Formula
C35H60O11
Molecular Weight
656.800000
Exact Mass
656.413563
InChI
InChI=1S/C35H60O11/c1-18-12-20(3)35(40,16-36)46-27(18)25-13-19(2)30(43-25)33(8)11-10-26(44-33)32(7)15-34(42-17-32)14-24(37)21(4)29(45-34)22(5)28(41-9)23(6)31(38)39/h18-30,36-37,40H,10-17H2,1-9H3,(H,38,39)
InChIKey
LBWGERMKHCBCHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.97
Rotatable bonds
9
H-bond acceptors
10
H-bond donors
4
Molar refractivity
167.64
TPSA
153.37

LogP / Solubility

WLOGP
3.74
MLOGP
3.35
XLogP3
3.7
Consensus LogP
3.6
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10

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