![CAS 26198-65-2 3-[[(1S)-5-(acetyl-hydroxy-amino)-1-carboxy-pentyl]carbamoyl]-2-[[(1S)-5-(acetyl-hydroxy-amino)-1-carboxy-pentyl]carbamoylmethyl]-2-hydroxy-propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/26198-65-2.gif)
CAS RN: 26198-65-2
3-[[(1S)-5-(acetyl-hydroxy-amino)-1-carboxy-pentyl]carbamoyl]-2-[[(1S)-5-(acetyl-hydroxy-amino)-1-carboxy-pentyl]carbamoylmethyl]-2-hydroxy-propanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250320 | 10mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS26198-65-2
- Purity/Analytical Methods: >99.0%
26198-65-2 / 4-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-[2-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid
Basic Information
CAS
26198-65-2
Multi CAS
No
Molecular Formula
C22H36N4O13
Molecular Weight
564.500000
Exact Mass
564.227887
SMILES
CC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)CC(CC(=O)N[C@@H](CCCCN(C(=O)C)O)C(=O)O)(C(=O)O)O)O
InChI
InChI=1S/C22H36N4O13/c1-13(27)25(38)9-5-3-7-15(19(31)32)23-17(29)11-22(37,21(35)36)12-18(30)24-16(20(33)34)8-4-6-10-26(39)14(2)28/h15-16,37-39H,3-12H2,1-2H3,(H,23,29)(H,24,30)(H,31,32)(H,33,34)(H,35,36)/t15-,16-/m0/s1
InChIKey
KDHHWXGBNUCREU-HOTGVXAUSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
39
Fraction Csp3
0.68
Rotatable bonds
19
H-bond acceptors
10
H-bond donors
8
Molar refractivity
127
TPSA
271.41
LogP / Solubility
WLOGP
-1.46
MLOGP
-1.24
XLogP3
-3.1
Consensus LogP
-1.93
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.4
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)
-7.2
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
5
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