4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5
TL;DR: 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5 (CAS 86213-57-2) is a chemical compound with molecular formula C16H17N6P and molecular weight 324.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-dimethyl-3,8-diphenyl-1,2,4,6,7,9-hexaza-5λ5-phosphaspiro[4.4]nona-2,4,8-triene
Also Known As: 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5, 1,6-dimethyl-3,8-diphenyl-1,2,4,6,7,9-hexaza-5lambda5-phosphaspir, 1,6-Dimethyl-3,8-diphenyl-1,2,4,6,7,9-hexaaza-5lambda~5~-phosphaspiro[4.4]nona-2,4,8-triene, 1,6-Dimethyl-3,8-diphenyl-1,2,4,6,7,9-hexaza-5lambda5-phosphaspiro[4.4]nona-2,4,8-triene
| Molecular Formula | C16H17N6P |
|---|---|
| Molecular Weight | 324.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.12524 |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 86213-57-2 |
|---|---|
| SMILES | CN1NC(=NP12=NC(=NN2C)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | HWKPGNCQJNCNPW-UHFFFAOYSA-N |
Product Overview
4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5 (CAS 86213-57-2), with molecular formula C16H17N6P and molecular weight 324.13 g/mol. IUPAC: 1,6-dimethyl-3,8-diphenyl-1,2,4,6,7,9-hexaza-5λ5-phosphaspiro[4.4]nona-2,4,8-triene.
Chemical Property Profile of 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5
Property Insights of 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5
The XLogP value of 3.6 indicates that 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.3 Ų, 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5 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 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5?
The CAS number of 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5 is 86213-57-2.
What is the molecular formula of 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5?
The molecular formula of 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5 is C16H17N6P.
What is the molecular weight of 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5?
The molecular weight of 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5 is 324.13 g/mol.
Where can I buy 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5?
You can request a quote for 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5?
Yes, KEHONG BIO provides custom synthesis services for 4,9-dimethyl-2,7-diphenyl-1,3,4,6,8,9-hexaza-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.