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CAS 881188-51-8 FOXY-5 molecular structure lightbox
CAS RN: 881188-51-8

FOXY-5

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Batchno.20250924 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS881188-51-8
  • Purity/Analytical Methods: >99.0%
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881188-51-8 / (2S)-2-[[(2S)-4-carboxy-2-[[(2R)-2-[[2-[[(2S)-3-carboxy-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]propanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]butanoyl]amino]-4-methylpentanoic acid

Standard CAS: 881188-51-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
881188-51-8
Multi CAS
Yes
Molecular Formula
C26H42N6O12S2
Molecular Weight
694.800000
Exact Mass
694.230213
InChI
InChI=1S/C26H42N6O12S2/c1-13(2)8-17(26(43)44)32-24(41)15(4-5-20(35)36)30-25(42)18(11-45)29-19(34)10-27-22(39)16(9-21(37)38)31-23(40)14(28-12-33)6-7-46-3/h12-18,45H,4-11H2,1-3H3,(H,27,39)(H,28,33)(H,29,34)(H,30,42)(H,31,40)(H,32,41)(H,35,36)(H,37,38)(H,43,44)/t14-,15-,16-,17-,18-/m0/s1
InChIKey
WFZPJYYCTSHDJI-ATIWLJMLSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.65
Rotatable bonds
24
H-bond acceptors
11
H-bond donors
10
Molar refractivity
166.79
TPSA
286.5

LogP / Solubility

WLOGP
-2.69
MLOGP
-2.31
XLogP3
-1.6
Consensus LogP
-2.2
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly 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)
-8.87

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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