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CAS 465-11-2 GAMABUFOTALIN molecular structure lightbox
CAS RN: 465-11-2

GAMABUFOTALIN

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Batchno.20250221 10mg Out of stock Inquiry
  • Product code: starshine_CAS465-11-2
  • Purity/Analytical Methods: >99.0%
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465-11-2 / 5-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

Standard CAS: 465-11-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
465-11-2
Multi CAS
Yes
Molecular Formula
C24H34O5
Molecular Weight
402.500000
Exact Mass
402.240624
InChI
InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17-,18-,19-,21-,22+,23-,24+/m1/s1
InChIKey
FMTLOAVOGWSPEF-KJRPADTMSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
108.3
TPSA
90.9

LogP / Solubility

WLOGP
3.21
MLOGP
2.85
XLogP3
2
Consensus LogP
2.69
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8

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