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/C49H76N12O15/c1-25(2)22-37(48(75)76)59-42(69)33(9-5-6-20-50)55-43(70)34(18-19-38(66)67)56-44(71)35(23-28-10-14-30(64)15-11-28)57-47(74)40(27(4)63)61-45(72)36(24-29-12-16-31(65)17-13-29)58-46(73)39(26(3)62)60-41(68)32(51)8-7-21-54-49(52)53/h10-17,25-27,32-37,39-40,62-65H,5-9,18-24,50-51H2,1-4H3,(H,55,70)(H,56,71)(H,57,74)(H,58,73)(H,59,69)(H,60,68)(H,61,72)(H,66,67)(H,75,76)(H4,52,53,54)/t26-,27-,32+,33+,34+,35+,36+,37+,39+,40+/m1/s1
InChIKey
HLAGKNQFVHAMKL-NNBGWGCZSA-N
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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