N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺
TL;DR: N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺 (CAS 5122-28-1) is a chemical compound with molecular formula C11H11ClN4 and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺
N-benzyl-4-chloro-6-methyl-1,3,5-triazin-2-amine
Also Known As: N-benzyl-4-chloro-6-methyl-1,3,5-triazin-2-amine, J1.554.516J, 2-Benzylamino-4-chloro-6-methyl-1,3,5-triazine, 2-BENZYLAMINO-4-CHLORO-6-METHYL-S-TRIAZINE, N-Benzyl-4-chloro-6-methyl-1,3,5-triazine-2-amine
| Molecular Formula | C11H11ClN4 |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.06723 |
| Heavy Atoms | 16 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 5122-28-1 |
|---|---|
| SMILES | CC1=NC(=NC(=N1)Cl)NCC2=CC=CC=C2 |
| InChIKey | HVGYEHVEUMVURM-UHFFFAOYSA-N |
Product Overview
N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺 (CAS 5122-28-1), with molecular formula C11H11ClN4 and molecular weight 234.07 g/mol. IUPAC: N-benzyl-4-chloro-6-methyl-1,3,5-triazin-2-amine.
Chemical Property Profile of N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺
Property Insights of N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺
The XLogP value of 3.1 indicates that N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺?
The CAS number of N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺 is 5122-28-1.
What is the molecular formula of N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺?
The molecular formula of N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺 is C11H11ClN4.
What is the molecular weight of N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺?
The molecular weight of N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺 is 234.07 g/mol.
Where can I buy N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺?
You can request a quote for N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺?
Yes, KEHONG BIO provides custom synthesis services for N-苄基-4-氯-6-甲基-1,3,5-三嗪-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.