![4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide structure](/static/products/839/839701-91-6.png)
4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide
TL;DR: 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide (CAS 839701-91-6) is a chemical compound with molecular formula C23H18ClN5O2S and molecular weight 463.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
Also Known As: 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide, 4-chloro-N-(5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide, 4-chloro-N-(5,7-diphenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide, 4-chloro-N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide, 4-CHLORO-N-{5,7-DIPHENYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL}BENZENE-1-SULFONAMIDE
| Molecular Formula | C23H18ClN5O2S |
|---|---|
| Molecular Weight | 463.09 g/mol |
| LogP | 4.7883 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.08698 |
| Heavy Atoms | 32 |
| Complexity | 1385.5995 |
Chemical Identifiers
| CAS Number | 839701-91-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C=C(NC3=NC(=NN23)NS(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5 |
Product Overview
4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide (CAS 839701-91-6), with molecular formula C23H18ClN5O2S and molecular weight 463.09 g/mol. IUPAC: 4-chloro-N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide.
Chemical Property Profile of 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide
Property Insights of 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide
The XLogP value of 4.7883 indicates that 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide 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 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide?
The CAS number of 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide is 839701-91-6.
What is the molecular formula of 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide?
The molecular formula of 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide is C23H18ClN5O2S.
What is the molecular weight of 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide?
The molecular weight of 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide is 463.09 g/mol.
Where can I buy 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide?
You can request a quote for 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.