![CAS 519006-12-3 Piperazine, 1-(1-methylethyl)-4-[(4-nitrophenyl)sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/519006-12-3.gif)
CAS RN: 519006-12-3
Piperazine, 1-(1-methylethyl)-4-[(4-nitrophenyl)sulfonyl]-
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.20260516 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS519006-12-3
- Purity/Analytical Methods: >99.0%
519006-12-3 / 1-(4-nitrophenyl)sulfonyl-4-propan-2-ylpiperazine
Basic Information
CAS
519006-12-3
Multi CAS
No
Molecular Formula
C13H19N3O4S
Molecular Weight
313.370000
Exact Mass
313.109627
InChI
InChI=1S/C13H19N3O4S/c1-11(2)14-7-9-15(10-8-14)21(19,20)13-5-3-12(4-6-13)16(17)18/h3-6,11H,7-10H2,1-2H3
InChIKey
NENONYOEPNGZKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
78.56
TPSA
83.76
LogP / Solubility
WLOGP
1.31
MLOGP
1.17
XLogP3
1.5
Consensus LogP
1.33
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
2-AMINO-4-(3,4-DIMETHYLPHENYL)THIOPHENE-3-CARBOXAMIDE
- CAS RN: 519016-86-5
- Product Code: SSC-158933
-
-
-
4-PYRIDAZINEMETHANAMINE
- CAS RN: 519020-42-9
- Product Code: starshine_CAS519020-42-9
- Purity/Analytical method: >99.0%
-
tert-butyl 4-cyano-tetrahydro-2H-pyran-4-ylcarbamate
- CAS RN: 519031-87-9
- Product Code: starshine_CAS519031-87-9
- Purity/Analytical method: >99.0%
-
4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER
- CAS RN: 519032-08-7
- Product Code: SSC-158937
![CAS 519032-08-7 4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-, METHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/519032-08-7.gif)