CAS RN: 62354-43-2
D-VAL-LEU-LYS P-NITROANILIDE DIHYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251121 | 1mg / 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS62354-43-2
- Purity/Analytical Methods: >99.0%
62354-43-2 / (2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-N-(4-nitrophenyl)hexanamide;dihydrochloride
Basic Information
CAS
62354-43-2
Multi CAS
Yes
Molecular Formula
C23H40CL2N6O5
Molecular Weight
551.500000
Exact Mass
550.243724
InChI
InChI=1S/C23H38N6O5.2ClH/c1-14(2)13-19(28-23(32)20(25)15(3)4)22(31)27-18(7-5-6-12-24)21(30)26-16-8-10-17(11-9-16)29(33)34;;/h8-11,14-15,18-20H,5-7,12-13,24-25H2,1-4H3,(H,26,30)(H,27,31)(H,28,32);2*1H/t18-,19-,20+;;/m0../s1
InChIKey
VESQMNNSPPEOSZ-ZLARAOTRSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
14
H-bond acceptors
7
H-bond donors
5
Molar refractivity
145.26
TPSA
182.48
LogP / Solubility
WLOGP
2.5
MLOGP
2.25
XLogP3
2.5
Consensus LogP
2.42
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.31
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
5.5
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