CAS RN: 250612-31-8
17-Oxo-6,9,12-trioxa-2,16-diazaeicosanedioic acid 1-(1,1-dimethylethyl)ester
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.20251030 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS250612-31-8
- Purity/Analytical Methods: >99.0%
250612-31-8 / 4-[3-[2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid
Basic Information
CAS
250612-31-8
Multi CAS
Yes
Molecular Formula
C19H36N2O8
Molecular Weight
420.500000
Exact Mass
420.247166
InChI
InChI=1S/C19H36N2O8/c1-19(2,3)29-18(25)21-9-5-11-27-13-15-28-14-12-26-10-4-8-20-16(22)6-7-17(23)24/h4-15H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)
InChIKey
RTHQDNQOODHVLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.84
Rotatable bonds
17
H-bond acceptors
7
H-bond donors
3
Molar refractivity
105.81
TPSA
132.42
LogP / Solubility
WLOGP
1.32
MLOGP
1.19
XLogP3
-0.1
Consensus LogP
0.8
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.53
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)
-4.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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