CAS RN: 960129-66-2
H-ASN-ASN-TRP-ASN-ASN-OH TRIFLUOROACETATE
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.20251121 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS960129-66-2
- Purity/Analytical Methods: >99.0%
960129-66-2 / (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
Basic Information
CAS
960129-66-2
Multi CAS
Yes
Molecular Formula
C27H36N10O10
Molecular Weight
660.600000
Exact Mass
660.261587
InChI
InChI=1S/C27H36N10O10/c28-13(6-19(29)38)23(42)34-16(7-20(30)39)25(44)35-15(5-11-10-33-14-4-2-1-3-12(11)14)24(43)36-17(8-21(31)40)26(45)37-18(27(46)47)9-22(32)41/h1-4,10,13,15-18,33H,5-9,28H2,(H2,29,38)(H2,30,39)(H2,31,40)(H2,32,41)(H,34,42)(H,35,44)(H,36,43)(H,37,45)(H,46,47)/t13-,15-,16-,17-,18-/m0/s1
InChIKey
HMNOUINQUDZPAL-HILJTLORSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
9
Fraction Csp3
0.37
Rotatable bonds
19
H-bond acceptors
10
H-bond donors
11
Molar refractivity
160.58
TPSA
367.87
LogP / Solubility
WLOGP
-5.44
MLOGP
-4.73
XLogP3
-9
Consensus LogP
-6.39
Log S (ESOL)
0.6
Class (ESOL)
Highly soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
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)
-10.61
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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