![CAS 940532-51-4 5-{4-[(DIETHYLAMINO)CARBONYL]ANILINO}-5-OXOPENTANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/940532-51-4.gif)
CAS RN: 940532-51-4
5-{4-[(DIETHYLAMINO)CARBONYL]ANILINO}-5-OXOPENTANOIC ACID
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.20250420 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS940532-51-4
- Purity/Analytical Methods: >99.0%
940532-51-4 / 5-[4-(diethylcarbamoyl)anilino]-5-oxopentanoic acid
Basic Information
CAS
940532-51-4
Multi CAS
No
Molecular Formula
C16H22N2O4
Molecular Weight
306.360000
Exact Mass
306.157957
InChI
InChI=1S/C16H22N2O4/c1-3-18(4-2)16(22)12-8-10-13(11-9-12)17-14(19)6-5-7-15(20)21/h8-11H,3-7H2,1-2H3,(H,17,19)(H,20,21)
InChIKey
OPUSKYPIMYDDGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
83.81
TPSA
86.71
LogP / Solubility
WLOGP
2.36
MLOGP
2.09
XLogP3
1.1
Consensus LogP
1.85
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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