CAS RN: 1313278-42-0
(S)-1-BOC-4-CBZ-2-PIPERAZINE CARBOXYLIC ACID METHYL 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 | Inquiry |
|---|---|---|---|---|
| Batchno.20250312 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1313278-42-0
- Purity/Analytical Methods: >99.0%
1313278-42-0 / 4-O-benzyl 1-O-tert-butyl 2-O-methyl (2S)-piperazine-1,2,4-tricarboxylate
Basic Information
CAS
1313278-42-0
Multi CAS
No
Molecular Formula
C19H26N2O6
Molecular Weight
378.400000
Exact Mass
378.179087
SMILES
CC(C)(C)OC(=O)N1CCN(C[C@H]1C(=O)OC)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H26N2O6/c1-19(2,3)27-18(24)21-11-10-20(12-15(21)16(22)25-4)17(23)26-13-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3/t15-/m0/s1
InChIKey
JHEYLNAAOWKKBQ-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
96.94
TPSA
85.38
LogP / Solubility
WLOGP
2.42
MLOGP
2.15
XLogP3
2.2
Consensus LogP
2.26
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
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)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 1313279-47-8 Carbamic acid, N-[trans-4-(cyanomethyl)cyclohexyl]-, 1,1-dimethylethyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Carbamic acid, N-[trans-4-(cyanomethyl)cyclohexyl]-, 1,1-dimethylethyl ester
- CAS RN: 1313279-47-8
- Product Code: SSC-038126
-
NVP-CGM097
- CAS RN: 1313363-54-0
- Product Code: starshine_CAS1313363-54-0
- Purity/Analytical method: >99.0%
-
4-((1r,4r)-4-(((4-iodophenyl)(methyl)amino)methyl)cyclohexyl)-1-methylpiperazin-2-one
- CAS RN: 1313365-97-7
- Product Code: starshine_CAS1313365-97-7
- Purity/Analytical method: >99.0%
-
3-Methyl-6-nitro-2H-indazole
- CAS RN: 1313372-75-6
- Product Code: starshine_CAS1313372-75-6
- Purity/Analytical method: >99.0%
-
-
3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9H-carbazole
- CAS RN: 1313391-57-9
- Product Code: starshine_CAS1313391-57-9
- Purity/Analytical method: >99.0%
![CAS 1313279-47-8 Carbamic acid, N-[trans-4-(cyanomethyl)cyclohexyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1313279-47-8.gif)
