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CAS 61301-33-5 WUWEIZISU C molecular structure lightbox
CAS RN: 61301-33-5

WUWEIZISU C

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Batchno.20250502 20mg In stock Shanghai Inquiry
  • Product code: starshine_CAS61301-33-5
  • Purity/Analytical Methods: >99.0%
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61301-33-5 / 3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaene

Standard CAS: 61301-33-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61301-33-5
Multi CAS
Yes
Molecular Formula
C22H24O6
Molecular Weight
384.400000
Exact Mass
384.157288
InChI
InChI=1S/C22H24O6/c1-11-5-13-7-15-19(27-9-25-15)21(23-3)17(13)18-14(6-12(11)2)8-16-20(22(18)24-4)28-10-26-16/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKey
HTBWBWWADZJXID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
102.96
TPSA
55.38

LogP / Solubility

WLOGP
4.2
MLOGP
3.72
XLogP3
5
Consensus LogP
4.31
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble

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)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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