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CAS 82425-44-3 Gomisin L2 molecular structure lightbox
CAS RN: 82425-44-3

Gomisin L2

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251021 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS82425-44-3
  • Purity/Analytical Methods: >99.0%
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82425-44-3 / (9S,10R)-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-5-ol

Standard CAS: 82425-44-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82425-44-3
Multi CAS
Yes
Molecular Formula
C22H26O6
Molecular Weight
386.400000
Exact Mass
386.172939
InChI
InChI=1S/C22H26O6/c1-11-6-13-8-15(23)19(24-3)21(25-4)17(13)18-14(7-12(11)2)9-16-20(22(18)26-5)28-10-27-16/h8-9,11-12,23H,6-7,10H2,1-5H3/t11-,12+/m0/s1
InChIKey
BVMLGLOHSDNEJG-NWDGAFQWSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
105.06
TPSA
66.38

LogP / Solubility

WLOGP
4.18
MLOGP
3.7
XLogP3
4.8
Consensus LogP
4.23
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
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)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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