CAS RN: 1542132-88-6
ZED-1227
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260516 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250609 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250720 | 10mg / 25mg / 50mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260626 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251203 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250613 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251014 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251027 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1542132-88-6
- Purity/Analytical Methods: >99.0%
1542132-88-6 / methyl (E,6S)-7-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]amino]-6-[(3-methylimidazole-4-carbonyl)amino]-7-oxohept-2-enoate
Basic Information
CAS
1542132-88-6
Multi CAS
No
Molecular Formula
C26H36N6O6
Molecular Weight
528.600000
Exact Mass
528.269633
SMILES
CCC(CC)CNC(=O)CN1C=CC=C(C1=O)NC(=O)[C@H](CC/C=C/C(=O)OC)NC(=O)C2=CN=CN2C
InChI
InChI=1S/C26H36N6O6/c1-5-18(6-2)14-28-22(33)16-32-13-9-11-20(26(32)37)30-24(35)19(10-7-8-12-23(34)38-4)29-25(36)21-15-27-17-31(21)3/h8-9,11-13,15,17-19H,5-7,10,14,16H2,1-4H3,(H,28,33)(H,29,36)(H,30,35)/b12-8+/t19-/m0/s1
InChIKey
VHGWUSABWIEXKQ-BEBFYNPSSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
11
Fraction Csp3
0.46
Rotatable bonds
14
H-bond acceptors
9
H-bond donors
3
Molar refractivity
141.27
TPSA
153.42
LogP / Solubility
WLOGP
1.38
MLOGP
1.25
XLogP3
1.6
Consensus LogP
1.41
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
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)
-4.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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