![CAS 210537-32-9 2,6-BIS[1-(2-METHYLPHENYLIMINO)ETHYL]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/210537-32-9.gif)
CAS RN: 210537-32-9
2,6-BIS[1-(2-METHYLPHENYLIMINO)ETHYL]PYRIDINE
- Product code: SSC-100291
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
210537-32-9 / 1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine
Basic Information
CAS
210537-32-9
Multi CAS
No
Molecular Formula
C23H23N3
Molecular Weight
341.400000
Exact Mass
341.189198
SMILES
CC1=CC=CC=C1N=C(C)C2=NC(=CC=C2)C(=NC3=CC=CC=C3C)C
InChI
InChI=1S/C23H23N3/c1-16-10-5-7-12-20(16)24-18(3)22-14-9-15-23(26-22)19(4)25-21-13-8-6-11-17(21)2/h5-15H,1-4H3
InChIKey
FWPJMGBMVWKPTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
110.34
TPSA
37.61
LogP / Solubility
WLOGP
5.98
MLOGP
5.28
XLogP3
5.3
Consensus LogP
5.52
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 210538-68-4 5,6,7,8-TETRAHYDRO-PYRIDO[4,3-D]PYRIMIDINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/210538-68-4.gif)
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