CAS RN: 178603-78-6
AC-YVAD-CMK
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250114 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250730 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250322 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260625 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251106 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250410 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS178603-78-6
- Purity/Analytical Methods: >99.0%
178603-78-6 / (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-chloro-4-oxopentanoic acid
Basic Information
CAS
178603-78-6
Multi CAS
No
Molecular Formula
C24H33ClN4O8
Molecular Weight
541.000000
Exact Mass
540.198692
SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CCl)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C
InChI
InChI=1S/C24H33ClN4O8/c1-12(2)21(24(37)26-13(3)22(35)28-17(10-20(33)34)19(32)11-25)29-23(36)18(27-14(4)30)9-15-5-7-16(31)8-6-15/h5-8,12-13,17-18,21,31H,9-11H2,1-4H3,(H,26,37)(H,27,30)(H,28,35)(H,29,36)(H,33,34)/t13-,17-,18-,21-/m0/s1
InChIKey
UOUBHJRCKHLGFB-DGJUNBOTSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
14
H-bond acceptors
7
H-bond donors
6
Molar refractivity
133.7
TPSA
191
LogP / Solubility
WLOGP
-0.15
MLOGP
-0.09
XLogP3
0.9
Consensus LogP
0.22
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.73
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)
-6.12
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
6
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