CAS RN: 2757690-14-3
INDEX NAME NOT YET ASSIGNED
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.20260606 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2757690-14-3
- Purity/Analytical Methods: >99.0%
2757690-14-3 / (2S)-6-amino-2-[[(2S)-2-[[2-(hexadecanoylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid;hydrochloride
Basic Information
CAS
2757690-14-3
Multi CAS
No
Molecular Formula
C30H55CLN6O5
Molecular Weight
615.200000
Exact Mass
614.392247
InChI
InChI=1S/C30H54N6O5.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27(37)33-22-28(38)35-26(20-24-21-32-23-34-24)29(39)36-25(30(40)41)17-15-16-19-31;/h21,23,25-26H,2-20,22,31H2,1H3,(H,32,34)(H,33,37)(H,35,38)(H,36,39)(H,40,41);1H/t25-,26-;/m0./s1
InChIKey
RJUJGVVVAOCMKF-CCQIZPNASA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
5
Fraction Csp3
0.77
Rotatable bonds
26
H-bond acceptors
6
H-bond donors
6
Molar refractivity
167.26
TPSA
179.3
LogP / Solubility
WLOGP
4.15
MLOGP
3.71
XLogP3
4.15
Consensus LogP
4
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.23
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)
-3.52
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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