CAS RN: 276680-69-4
AKT/SKG SUBSTRATE PEPTIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260627 | 1mg / 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS276680-69-4
- Purity/Analytical Methods: >99.0%
276680-69-4 / (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoic acid
Basic Information
CAS
276680-69-4
Multi CAS
Yes
Molecular Formula
C36H59N13O9
Molecular Weight
817.900000
Exact Mass
817.455871
InChI
InChI=1S/C36H59N13O9/c1-19(28(51)44-20(2)29(52)48-27(21(3)50)32(55)47-25(34(57)58)18-22-10-5-4-6-11-22)45-30(53)24(13-8-16-43-36(40)41)46-31(54)26-14-9-17-49(26)33(56)23(37)12-7-15-42-35(38)39/h4-6,10-11,19-21,23-27,50H,7-9,12-18,37H2,1-3H3,(H,44,51)(H,45,53)(H,46,54)(H,47,55)(H,48,52)(H,57,58)(H4,38,39,42)(H4,40,41,43)/t19-,20-,21+,23-,24-,25-,26-,27-/m0/s1
InChIKey
XXOREQHVEARXEP-WDKSWFFASA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
23
H-bond acceptors
11
H-bond donors
12
Molar refractivity
213
TPSA
378.16
LogP / Solubility
WLOGP
-4.42
MLOGP
-3.81
XLogP3
-5.6
Consensus LogP
-4.61
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-10.84
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
8
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