CAS RN: 1998216-00-4
3-(piperazin-1-yl)benzoic acid hydrochloride
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-094053
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1998216-00-4 / 3-piperazin-1-ylbenzoic acid;hydrochloride
Basic Information
CAS
1998216-00-4
Multi CAS
No
Molecular Formula
C11H15ClN2O2
Molecular Weight
242.700000
Exact Mass
242.082205
SMILES
C1CN(CCN1)C2=CC=CC(=C2)C(=O)O.Cl
InChI
InChI=1S/C11H14N2O2.ClH/c14-11(15)9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2,(H,14,15);1H
InChIKey
WUIPIWUUGYGNDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.73
TPSA
52.57
LogP / Solubility
WLOGP
1.22
MLOGP
1.08
XLogP3
1.22
Consensus LogP
1.17
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1998216-16-2 7,8-Dihydro-6H-[1,3]dioxolo[4,5-e]isoindole hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
7,8-Dihydro-6H-[1,3]dioxolo[4,5-e]isoindole hydrochloride
- CAS RN: 1998216-16-2
- Product Code: SSC-094055
-
-
4-Chloro-3-cyclopropylpyridine hydrochloride
- CAS RN: 1998216-32-2
- Product Code: starshine_CAS1998216-32-2
- Purity/Analytical method: >99.0%
-
4-Quinolinepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
- CAS RN: 1998513-62-4
- Product Code: SSC-094064
-
(2S)-4-ethyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid
- CAS RN: 1998613-43-6
- Product Code: SSC-094075
-
6-Quinolinepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
- CAS RN: 1998643-85-8
- Product Code: SSC-094083
![CAS 1998216-16-2 7,8-Dihydro-6H-[1,3]dioxolo[4,5-e]isoindole hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1998216-16-2.gif)
.gif)
![CAS 1998513-62-4 4-Quinolinepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1998513-62-4.gif)
![CAS 1998613-43-6 (2S)-4-ethyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1998613-43-6.gif)
![CAS 1998643-85-8 6-Quinolinepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1998643-85-8.gif)