CAS RN: 265669-37-2
β-catenin 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.20251212 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS265669-37-2
- Purity/Analytical Methods: >99.0%
265669-37-2 / (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
Basic Information
CAS
265669-37-2
Multi CAS
No
Molecular Formula
C49H76N12O15
Molecular Weight
1073.200000
Exact Mass
1072.555310
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N)O
InChI
InChI=1S/C29H31FN2O4.Na/c30-22-12-14-23(15-13-22)32-27(17-16-24(33)18-25(34)19-28(35)36)26-11-5-10-21(29(26)31-32)9-4-8-20-6-2-1-3-7-20;/h1-4,6-8,12-17,21,24-25,33-34H,5,9-11,18-19H2,(H,35,36);/q;+1/p-1
InChIKey
UVQANHPAAOYLOW-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
76
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
34
H-bond acceptors
16
H-bond donors
17
Molar refractivity
275.25
TPSA
475.66
LogP / Solubility
WLOGP
-3.46
MLOGP
-2.94
XLogP3
-6.4
Consensus LogP
-4.27
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.85
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)
-11.72
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
9
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