CAS RN: 64577-63-5
TFA-VAL-TYR-VAL-OH
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.20260222 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS64577-63-5
- Purity/Analytical Methods: >99.0%
64577-63-5 / 2-[[3-(4-hydroxyphenyl)-2-[[3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
Basic Information
CAS
64577-63-5
Multi CAS
Yes
Molecular Formula
C21F3H28N3O6
Molecular Weight
475.500000
Exact Mass
475.193020
InChI
InChI=1S/C21H28F3N3O6/c1-10(2)15(27-20(33)21(22,23)24)18(30)25-14(9-12-5-7-13(28)8-6-12)17(29)26-16(11(3)4)19(31)32/h5-8,10-11,14-16,28H,9H2,1-4H3,(H,25,30)(H,26,29)(H,27,33)(H,31,32)/t14-,15-,16-/m0/s1
InChIKey
SAVSLMGBKQKUAV-JYJNAYRXSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
5
Molar refractivity
110.97
TPSA
144.83
LogP / Solubility
WLOGP
1.35
MLOGP
1.22
XLogP3
1.1
Consensus LogP
1.22
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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- Purity/Analytical method: >99.0%
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