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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1179943-93-1 / 1-(1H-imidazol-2-ylmethyl)piperazine
1-(1H-imidazol-2-ylmethyl)piperazine | SCHEMBL4731563 | SCHEMBL6484067
Basic Information
CAS
1179943-93-1
Multi CAS
No
Molecular Formula
C8H14N4
Molecular Weight
166.220000
Exact Mass
166.121846
SMILES
C1CN(CCN1)CC2=NC=CN2
InChI
InChI=1S/C8H14N4/c1-2-11-8(10-1)7-12-5-3-9-4-6-12/h1-2,9H,3-7H2,(H,10,11)
InChIKey
GNZCODQFNKYDAL-UHFFFAOYSA-N
Synonyms
1-(1H-imidazol-2-ylmethyl)piperazine
SCHEMBL4731563
SCHEMBL6484067
EXB94393
1-[(2-Imidazolyl)methyl]piperazine
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.73
TPSA
43.95
LogP / Solubility
WLOGP
-0.19
MLOGP
-0.17
XLogP3
-0.7
Consensus LogP
-0.35
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very 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)
-3.87
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
-
(4-Iodo-cyclohexyl)-carbaMic acid tert-butyl ester
- CAS RN: 1179986-79-8
- Product Code: SSC-017842
-
-
1,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1,1-diMethylethyl ester, ethanedioate (1:1)
- CAS RN: 1180112-42-8
- Product Code: starshine_CAS1180112-42-8
- Purity/Analytical method: >99.0%
-
7-Hydroxy-3-(4-hydroxybenzyl)chroman
- CAS RN: 1180504-64-6
- Product Code: starshine_CAS1180504-64-6
- Purity/Analytical method: >99.0%
-
Ethyl 2-(2-bromophenyl)-2,2-difluoroacetate
- CAS RN: 1180536-37-1
- Product Code: SSC-017895
-
(2Z)-5-(4-Chlorophenyl)-3-phenyl-2-pentenoicacid
- CAS RN: 1180676-32-7
- Product Code: starshine_CAS1180676-32-7
- Purity/Analytical method: >99.0%
![CAS 1180112-42-8 1,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1,1-diMethylethyl ester, ethanedioate (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1180112-42-8.gif)
