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CAS 62306-81-4 Rutaevin 7-acetate molecular structure lightbox
CAS RN: 62306-81-4

Rutaevin 7-acetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250111 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS62306-81-4
  • Purity/Analytical Methods: >99.0%
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62306-81-4 / [19-(furan-3-yl)-9,9,13,20-tetramethyl-5,11,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosan-12-yl] acetate

Standard CAS: 62306-81-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62306-81-4
Multi CAS
Yes
Molecular Formula
C28H32O10
Molecular Weight
528.500000
Exact Mass
528.199547
InChI
InChI=1S/C28H32O10/c1-13(29)35-21-18(31)19-24(2,3)37-16-10-17(30)34-12-27(16,19)15-6-8-25(4)20(14-7-9-33-11-14)36-23(32)22-28(25,38-22)26(15,21)5/h7,9,11,15-16,19-22H,6,8,10,12H2,1-5H3/t15-,16-,19+,20-,21-,22+,25-,26-,27-,28+/m0/s1
InChIKey
YBJGIQUVRQCMSY-VZGSZHHKSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
10
Molar refractivity
125.1
TPSA
130.87

LogP / Solubility

WLOGP
2.68
MLOGP
2.4
XLogP3
1.8
Consensus LogP
2.29
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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