N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide
TL;DR: N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide (CAS 159583-10-5) is a chemical compound with molecular formula C16H10N4O2S and molecular weight 322.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-formyl-7-phenyl-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,8(12),9-pentaene-3-carboxamide
Also Known As: AB00102202-01, N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide
| Molecular Formula | C16H10N4O2S |
|---|---|
| Molecular Weight | 322.05 g/mol |
| LogP | 2.994 |
| Topological Polar Surface Area | 74.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.05246 |
| Heavy Atoms | 23 |
| Complexity | 949.3736 |
Chemical Identifiers
| CAS Number | 159583-10-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=NC3=C(SC4=NC=CC2=C34)C(=O)NC=O |
Product Overview
N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide (CAS 159583-10-5), with molecular formula C16H10N4O2S and molecular weight 322.05 g/mol. IUPAC: N-formyl-7-phenyl-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,8(12),9-pentaene-3-carboxamide.
Chemical Property Profile of N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide
Property Insights of N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide
The XLogP value of 2.994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide. The TPSA of 74.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide. Following Lipinski's Rule of Five, N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide has 1 hydrogen bond donor(s) and 6 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-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide?
The CAS number of N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide is 159583-10-5.
What is the molecular formula of N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide?
The molecular formula of N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide is C16H10N4O2S.
What is the molecular weight of N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide?
The molecular weight of N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide is 322.05 g/mol.
Where can I buy N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide?
You can request a quote for N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-formyl-5-phenyl-5H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.