RefChem:1077264
TL;DR: RefChem:1077264 (CAS 7220-57-7) is a chemical compound with molecular formula C17H19Cl2N3 and molecular weight 335.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,6R)-3-(2-chlorophenyl)-1,6-dimethyl-5-phenyl-5,6-dihydro-2H-1,2,4-triazine;hydrochloride
Also Known As: as-Triazine, 1,4,5,6-tetrahydro-3-(o-chlorophenyl)-1,6-dimethyl-5-phenyl-, monohydrochloride, trans-(+)-, as-Triazine, 1,4,5,6-tetrahydro-3-(o-chlorophenyl)-1,6-dimethyl-5-phenyl-, monohydrochloride, trans-(-)-, (5R,6R)-3-(2-Chlorophenyl)-1,6-dimethyl-5-phenyl-1,2,5,6-tetrahydro-1,2,4-triazine--hydrogen chloride (1/1), (5R,6R)-3-(2-chlorophenyl)-1,6-dimethyl-5-phenyl-5,6-dihydro-2H-1,2,4-triazine hydrochloride, (5S,6R)-3-(2-chlorophenyl)-1,6-dimethyl-5-phenyl-5,6-dihydro-2H-1,2,4-triazine Hydrochloride
| Molecular Formula | C17H19Cl2N3 |
|---|---|
| Molecular Weight | 335.10 g/mol |
| LogP | 4.0882 |
| Topological Polar Surface Area | 27.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.0956 |
| Heavy Atoms | 22 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 7220-57-7 |
|---|---|
| SMILES | C[C@@H]1[C@H](N=C(NN1C)C2=CC=CC=C2Cl)C3=CC=CC=C3.Cl |
| InChIKey | HLLZHPMCDAEGHD-KKJWGQAZSA-N |
Product Overview
RefChem:1077264 (CAS 7220-57-7), with molecular formula C17H19Cl2N3 and molecular weight 335.10 g/mol. IUPAC: (5R,6R)-3-(2-chlorophenyl)-1,6-dimethyl-5-phenyl-5,6-dihydro-2H-1,2,4-triazine;hydrochloride.
Chemical Property Profile of RefChem:1077264
Property Insights of RefChem:1077264
The XLogP value of 4.0882 indicates that RefChem:1077264 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.6 Ų, RefChem:1077264 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1077264 has 2 hydrogen bond donor(s) and 2 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 RefChem:1077264?
The CAS number of RefChem:1077264 is 7220-57-7.
What is the molecular formula of RefChem:1077264?
The molecular formula of RefChem:1077264 is C17H19Cl2N3.
What is the molecular weight of RefChem:1077264?
The molecular weight of RefChem:1077264 is 335.10 g/mol.
Where can I buy RefChem:1077264?
You can request a quote for RefChem:1077264 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077264?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077264 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.