![CAS 1353863-79-2 Methyl (2S)-2-[(2-pyridinylcarbonyl)amino]butanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1353863-79-2.gif)
CAS RN: 1353863-79-2
Methyl (2S)-2-[(2-pyridinylcarbonyl)amino]butanoate
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.20260228 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353863-79-2
- Purity/Analytical Methods: >99.0%
1353863-79-2 / methyl (2S)-2-(pyridine-2-carbonylamino)butanoate
Basic Information
CAS
1353863-79-2
Multi CAS
No
Molecular Formula
C11H14N2O3
Molecular Weight
222.240000
Exact Mass
222.100442
SMILES
CC[C@@H](C(=O)OC)NC(=O)C1=CC=CC=N1
InChI
InChI=1S/C11H14N2O3/c1-3-8(11(15)16-2)13-10(14)9-6-4-5-7-12-9/h4-8H,3H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKey
YPXZBIREEZNMPZ-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.8
TPSA
68.29
LogP / Solubility
WLOGP
0.76
MLOGP
0.67
XLogP3
1.3
Consensus LogP
0.91
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 1353867-91-0 9H-Purin-6-aMine, 9-(1-Methylethyl)-N-[[3-(trifluoroMethyl)phenyl]Methyl]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
9H-Purin-6-aMine, 9-(1-Methylethyl)-N-[[3-(trifluoroMethyl)phenyl]Methyl]-
- CAS RN: 1353867-91-0
- Product Code: starshine_CAS1353867-91-0
- Purity/Analytical method: >99.0%
-
Albendazole-D3
- CAS RN: 1353867-92-1
- Product Code: starshine_CAS1353867-92-1
- Purity/Analytical method: >99.0%
-
4-Hydroxy-4H-furo[3,2-c]pyran-2(6H)-one-13C7
- CAS RN: 1353867-99-8
- Product Code: starshine_CAS1353867-99-8
- Purity/Analytical method: >99.0%
-
(1-methanesulfonylazetidin-3-yl)methanamine
- CAS RN: 1353897-67-2
- Product Code: starshine_CAS1353897-67-2
- Purity/Analytical method: >99.0%
-
-
2-[(CarboxyMethyl-Methyl-aMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1353943-48-2
- Product Code: SSC-043659
![CAS 1353867-91-0 9H-Purin-6-aMine, 9-(1-Methylethyl)-N-[[3-(trifluoroMethyl)phenyl]Methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1353867-91-0.gif)
![CAS 1353867-99-8 4-Hydroxy-4H-furo[3,2-c]pyran-2(6H)-one-13C7 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1353867-99-8.gif)
![CAS 1353943-48-2 2-[(CarboxyMethyl-Methyl-aMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62578857(1).gif)