CAS RN: 131167-89-0
isoleucyl-lysyl-valyl-alanyl-valine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250220 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260611 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250505 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250303 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260509 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251231 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS131167-89-0
- Purity/Analytical Methods: >99.0%
131167-89-0 / (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
Basic Information
CAS
131167-89-0
Multi CAS
No
Molecular Formula
C25H48N6O6
Molecular Weight
528.700000
Exact Mass
528.363533
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)N
InChI
InChI=1S/C25H48N6O6/c1-8-15(6)18(27)23(34)29-17(11-9-10-12-26)22(33)30-19(13(2)3)24(35)28-16(7)21(32)31-20(14(4)5)25(36)37/h13-20H,8-12,26-27H2,1-7H3,(H,28,35)(H,29,34)(H,30,33)(H,31,32)(H,36,37)/t15-,16-,17-,18-,19-,20-/m0/s1
InChIKey
XQQUSYWGKLRJRA-RABCQHRBSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.8
Rotatable bonds
17
H-bond acceptors
7
H-bond donors
7
Molar refractivity
141.04
TPSA
205.74
LogP / Solubility
WLOGP
-0.16
MLOGP
-0.1
XLogP3
-2.7
Consensus LogP
-0.99
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.01
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)
-6.06
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
7
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