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CAS 320624-68-8 MarMin acetonide molecular structure lightbox
CAS RN: 320624-68-8

MarMin acetonide

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 5mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260210 5mg Out of stock Inquiry
  • Product code: starshine_CAS320624-68-8
  • Purity/Analytical Methods: >99.0%
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320624-68-8 / 7-[(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enoxy]chromen-2-one

Standard CAS: 320624-68-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
320624-68-8
Multi CAS
Yes
Molecular Formula
C22H28O5
Molecular Weight
372.500000
Exact Mass
372.193674
InChI
InChI=1S/C22H28O5/c1-15(6-10-19-21(2,3)27-22(4,5)26-19)12-13-24-17-9-7-16-8-11-20(23)25-18(16)14-17/h7-9,11-12,14,19H,6,10,13H2,1-5H3/b15-12+/t19-/m1/s1
InChIKey
AECCGECAEDOGOS-LBKOFNPBSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
105.09
TPSA
57.9

LogP / Solubility

WLOGP
4.83
MLOGP
4.27
XLogP3
4.5
Consensus LogP
4.53
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.56

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
3

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