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CAS 526-07-8 Sesamolin molecular structure lightbox
CAS RN: 526-07-8

Sesamolin

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251004 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250206 10mg In stock Shanghai Inquiry
Batchno.20251221 250mg Out of stock Inquiry
Batchno.20251006 25mg In stock Shanghai Inquiry
Batchno.20251129 50mg In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: LINS890226
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526-07-8 / 5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole

Standard CAS: 526-07-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
526-07-8
Multi CAS
Yes
Molecular Formula
C20H18O7
Molecular Weight
370.400000
Exact Mass
370.105253
InChI
InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
InChIKey
ZZMNWJVJUKMZJY-AFHBHXEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
91.17
TPSA
64.61

LogP / Solubility

WLOGP
2.88
MLOGP
2.56
XLogP3
3
Consensus LogP
2.81
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
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
Yes
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

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

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