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CAS 875910-01-3 AGA-(C8R) HNG17, Humanin derivative molecular structure lightbox
CAS RN: 875910-01-3

AGA-(C8R) HNG17, Humanin derivative

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251020 5mg / 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS875910-01-3
  • Purity/Analytical Methods: >99.0%
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875910-01-3 / (2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S,3S)-2-[[(2S)-4-carboxy-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]butanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

Standard CAS: 875910-01-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
875910-01-3
Multi CAS
No
Molecular Formula
C78H134N20O24
Molecular Weight
1736.000000
Exact Mass
1734.987985
InChI
InChI=1S/C78H134N20O24/c1-16-42(12)61(75(119)93-53(33-60(105)106)71(115)94-54(32-41(10)11)76(120)98-27-19-22-56(98)77(121)122)96-67(111)48(23-24-59(103)104)87-58(102)35-84-74(118)62(45(15)100)97-72(116)52(31-40(8)9)92-70(114)51(30-39(6)7)91-69(113)50(29-38(4)5)90-68(112)49(28-37(2)3)89-66(110)47(21-18-26-82-78(79)80)88-73(117)55(36-99)95-64(108)44(14)85-57(101)34-83-63(107)43(13)86-65(109)46-20-17-25-81-46/h37-56,61-62,81,99-100H,16-36H2,1-15H3,(H,83,107)(H,84,118)(H,85,101)(H,86,109)(H,87,102)(H,88,117)(H,89,110)(H,90,112)(H,91,113)(H,92,114)(H,93,119)(H,94,115)(H,95,108)(H,96,111)(H,97,116)(H,103,104)(H,105,106)(H,121,122)(H4,79,80,82)/t42-,43-,44-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,61-,62-/m0/s1
InChIKey
PADLNMCKGYDJBW-WMFAMTTMSA-N

Computed Properties

Structural Parameters

Heavy atom count
122
Fraction Csp3
0.74
Rotatable bonds
55
H-bond acceptors
23
H-bond donors
23
Molar refractivity
440.39
TPSA
685.6

LogP / Solubility

WLOGP
-5.57
MLOGP
-4.72
XLogP3
-3.2
Consensus LogP
-4.5
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-9.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.92
Class (SILICOS-IT)
Insoluble

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)
-17.26

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
10

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