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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
223796-20-1 / 1-pyridin-3-yl-1,4-diazepane
Basic Information
CAS
223796-20-1
Multi CAS
No
Molecular Formula
C10H15N3
Molecular Weight
177.250000
Exact Mass
177.126597
SMILES
C1CNCCN(C1)C2=CN=CC=C2
InChI
InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2
InChIKey
JBOVXXZNZSULJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.94
TPSA
28.16
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
0.7
Consensus LogP
0.78
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.18
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
-
1-PIPERAZINECARBOXYLIC ACID, 4-(3-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
- CAS RN: 223797-47-5
- Product Code: starshine_CAS223797-47-5
- Purity/Analytical method: >99.0%
-
-
5,5-Dimethyl-2-(3-methylphenyl)-1,3,2-dioxaborinane
- CAS RN: 223799-24-4
- Product Code: starshine_CAS223799-24-4
- Purity/Analytical method: >99.0%
-
2-[3-(bromomethyl)phenyl]-5,5-dimethyl-1,3,2-Dioxaborinane
- CAS RN: 223799-25-5
- Product Code: starshine_CAS223799-25-5
- Purity/Analytical method: >99.0%
-
3-Methyl-2-vinylpyridine
- CAS RN: 22382-94-1
- Product Code: starshine_CAS22382-94-1
- Purity/Analytical method: >99.0%
-
![CAS 223799-25-5 2-[3-(bromomethyl)phenyl]-5,5-dimethyl-1,3,2-Dioxaborinane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/223799-25-5.gif)
