(S)-sebuthylazine
TL;DR: (S)-sebuthylazine (CAS 15717-46-1) is a chemical compound with molecular formula C9H16ClN5 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-[(2S)-butan-2-yl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
Also Known As: (S)-sebuthylazine, Sebuthylazine, 2-N-[(2S)-butan-2-yl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine, n-[(2s)-butan-2-yl]-6-chloro-n'-ethyl-1,3,5-triazine-2,4-diamine, N-Ethyl-N -[(S)-1-methylpropyl]-6-chloro-1,3,5-triazine-2,4-diamine
| Molecular Formula | C9H16ClN5 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 229.10942 |
| Heavy Atoms | 15 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 15717-46-1 |
|---|---|
| SMILES | CC[C@H](C)NC1=NC(=NC(=N1)NCC)Cl |
| InChIKey | BZRUVKZGXNSXMB-LURJTMIESA-N |
Product Overview
(S)-sebuthylazine (CAS 15717-46-1), with molecular formula C9H16ClN5 and molecular weight 229.11 g/mol. IUPAC: 2-N-[(2S)-butan-2-yl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of (S)-sebuthylazine
Property Insights of (S)-sebuthylazine
The XLogP value of 3.1 indicates that (S)-sebuthylazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-sebuthylazine. Following Lipinski's Rule of Five, (S)-sebuthylazine has 2 hydrogen bond donor(s) and 5 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 (S)-sebuthylazine?
The CAS number of (S)-sebuthylazine is 15717-46-1.
What is the molecular formula of (S)-sebuthylazine?
The molecular formula of (S)-sebuthylazine is C9H16ClN5.
What is the molecular weight of (S)-sebuthylazine?
The molecular weight of (S)-sebuthylazine is 229.11 g/mol.
Where can I buy (S)-sebuthylazine?
You can request a quote for (S)-sebuthylazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-sebuthylazine?
Yes, KEHONG BIO provides custom synthesis services for (S)-sebuthylazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.