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CAS 304642-94-2 Xerophilusin G molecular structure lightbox
CAS RN: 304642-94-2

Xerophilusin G

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251114 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS304642-94-2
  • Purity/Analytical Methods: >99.0%
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304642-94-2 / [(1S,2S,5S,8R,9R,10S,11R,12R,15R,18R)-9,10,15,18-tetrahydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate

Standard CAS: 304642-94-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
304642-94-2
Multi CAS
Yes
Molecular Formula
C22H30O8
Molecular Weight
422.500000
Exact Mass
422.194068
InChI
InChI=1S/C22H30O8/c1-10-12-4-5-13-20-9-30-22(28,21(13,16(10)25)17(12)26)18(27)15(20)19(3,7-6-14(20)24)8-29-11(2)23/h12-15,17-18,24,26-28H,1,4-9H2,2-3H3/t12-,13-,14+,15+,17+,18-,19-,20+,21-,22-/m0/s1
InChIKey
WXIZMFKMNALSKU-GWUMUZJOSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
4
Molar refractivity
101.61
TPSA
133.52

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.04
XLogP3
-0.6
Consensus LogP
-0.24
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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