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CAS 163660-06-8 Kadsulignan L molecular structure lightbox
CAS RN: 163660-06-8

Kadsulignan L

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250601 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS163660-06-8
  • Purity/Analytical Methods: >99.0%
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163660-06-8 / (1S,17R,18S,19R)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2,4(8),9,11,13,15-hexaene

Standard CAS: 163660-06-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
163660-06-8
Multi CAS
No
Molecular Formula
C23H26O7
Molecular Weight
414.400000
Exact Mass
414.167853
SMILES
C[C@@H]1[C@@H]([C@@H]2C3=CC(=C(C(=C3C4=C(C5=C(C=C4[C@H]1O2)OCO5)OC)OC)OC)OC)C
InChI
InChI=1S/C23H26O7/c1-10-11(2)19-13-8-15-21(29-9-28-15)23(27-6)17(13)16-12(18(10)30-19)7-14(24-3)20(25-4)22(16)26-5/h7-8,10-11,18-19H,9H2,1-6H3/t10-,11+,18+,19-/m0/s1
InChIKey
RNIZTMIJCBCDBR-VLSRRBAKSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
109.1
TPSA
64.61

LogP / Solubility

WLOGP
4.51
MLOGP
4
XLogP3
3.9
Consensus LogP
4.14
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.58
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)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

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