![CAS 2410512-38-6 4-Pyridinecarboxylic acid, 2-[[[2-[[2-(dimethylamino)ethyl]ethylamino]-2-oxoethyl]amino]methyl]-, 2,4-bis(1-methylethoxy)phenyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2410512-38-6.gif)
CAS RN: 2410512-38-6
4-Pyridinecarboxylic acid, 2-[[[2-[[2-(dimethylamino)ethyl]ethylamino]-2-oxoethyl]amino]methyl]-, 2,4-bis(1-methylethoxy)phenyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250716 | 1mg / 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS2410512-38-6
- Purity/Analytical Methods: >99.0%
2410512-38-6 / [2,4-di(propan-2-yloxy)phenyl] 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylate
Basic Information
CAS
2410512-38-6
Multi CAS
No
Molecular Formula
C27H40N4O5
Molecular Weight
500.600000
Exact Mass
500.299870
SMILES
CCN(CCN(C)C)C(=O)CNCC1=NC=CC(=C1)C(=O)OC2=C(C=C(C=C2)OC(C)C)OC(C)C
InChI
InChI=1S/C27H40N4O5/c1-8-31(14-13-30(6)7)26(32)18-28-17-22-15-21(11-12-29-22)27(33)36-24-10-9-23(34-19(2)3)16-25(24)35-20(4)5/h9-12,15-16,19-20,28H,8,13-14,17-18H2,1-7H3
InChIKey
APYABXFXNNTCQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
14
H-bond acceptors
8
H-bond donors
1
Molar refractivity
139.68
TPSA
93.23
LogP / Solubility
WLOGP
3.37
MLOGP
3.01
XLogP3
3.1
Consensus LogP
3.16
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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