![CAS 317353-73-4 1-[[(3S)-4-[2-[4-[[[(2-Methylphenyl)amino]carbonyl]amino]phenyl]acety]l-3-morpholinyl]carbonyl]-4-piperidinediaceticacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/317353-73-4.gif)
CAS RN: 317353-73-4
1-[[(3S)-4-[2-[4-[[[(2-Methylphenyl)amino]carbonyl]amino]phenyl]acety]l-3-morpholinyl]carbonyl]-4-piperidinediaceticacid
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250417 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250326 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250123 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250828 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250810 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS317353-73-4
- Purity/Analytical Methods: >99.0%
317353-73-4 / 2-[1-[(3S)-4-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]morpholine-3-carbonyl]piperidin-4-yl]acetic acid
Basic Information
CAS
317353-73-4
Multi CAS
Yes
Molecular Formula
C28H34N4O6
Molecular Weight
522.600000
Exact Mass
522.247835
InChI
InChI=1S/C28H34N4O6/c1-19-4-2-3-5-23(19)30-28(37)29-22-8-6-20(7-9-22)16-25(33)32-14-15-38-18-24(32)27(36)31-12-10-21(11-13-31)17-26(34)35/h2-9,21,24H,10-18H2,1H3,(H,34,35)(H2,29,30,37)/t24-/m0/s1
InChIKey
ITXAAOWFOURIHK-DEOSSOPVSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
141.84
TPSA
128.28
LogP / Solubility
WLOGP
3.12
MLOGP
2.79
XLogP3
1.7
Consensus LogP
2.54
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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