CAS RN: 23672-96-0
Piperazine-1-carboxylic acid isobutyl ester
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.20250101 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS23672-96-0
- Purity/Analytical Methods: >99.0%
23672-96-0 / 2-methylpropyl piperazine-1-carboxylate
Basic Information
CAS
23672-96-0
Multi CAS
No
Molecular Formula
C9H18N2O2
Molecular Weight
186.250000
Exact Mass
186.136828
SMILES
CC(C)COC(=O)N1CCNCC1
InChI
InChI=1S/C9H18N2O2/c1-8(2)7-13-9(12)11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3
InChIKey
KPEKTRARZLEBCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.63
TPSA
41.57
LogP / Solubility
WLOGP
0.68
MLOGP
0.6
XLogP3
0.8
Consensus LogP
0.69
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-PHENYL-5-(TRIFLUOROMETHYL)-OXAZOLE-4-CARBOXYLICACID
- CAS RN: 236736-23-5
- Product Code: SSC-115169
-
-
(3S )-9,10-Difluoro-2,3-dihydro-3-methyl-8-nitro-7-oxo-7H -pyrido[1,2,3-de ]-1,4-benzoxazine-6-carboxylic acid
- CAS RN: 236743-93-4
- Product Code: starshine_CAS236743-93-4
- Purity/Analytical method: >99.0%
-
TRANS-2,3-DIFLUOROCINNAMIC ACID
- CAS RN: 236746-13-7
- Product Code: starshine_CAS236746-13-7
- Purity/Analytical method: >99.0%
-
4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile
- CAS RN: 236750-65-5
- Product Code: SSC-115175
![CAS 236743-93-4 (3S )-9,10-Difluoro-2,3-dihydro-3-methyl-8-nitro-7-oxo-7H -pyrido[1,2,3-de ]-1,4-benzoxazine-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/236743-93-4.gif)
