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CAS 73891-15-3 (-)-(18-CROWN-6)-2 3 11 12-TETRACARBOXY& molecular structure lightbox
CAS RN: 73891-15-3

(-)-(18-CROWN-6)-2 3 11 12-TETRACARBOXY&

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250222 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS73891-15-3
  • Purity/Analytical Methods: >99.0%
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73891-15-3 / 1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid

Standard CAS: 73891-15-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73891-15-3
Multi CAS
Yes
Molecular Formula
C16H24O14
Molecular Weight
440.350000
Exact Mass
440.116605
InChI
InChI=1S/C16H24O14/c17-13(18)9-10(14(19)20)29-7-3-26-4-8-30-12(16(23)24)11(15(21)22)28-6-2-25-1-5-27-9/h9-12H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t9-,10-,11-,12-/m0/s1
InChIKey
FZERLKNAJSFDSQ-BJDJZHNGSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
4
Molar refractivity
91.14
TPSA
204.58

LogP / Solubility

WLOGP
-2.09
MLOGP
-1.81
XLogP3
-2.4
Consensus LogP
-2.1
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
Soluble

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
No
Log Kp (skin permeation)
-6.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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