![5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one structure](/static/products/841/841207-47-4.png)
5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one
TL;DR: 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one (CAS 841207-47-4) is a chemical compound with molecular formula C26H22N4O4S and molecular weight 486.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one, 2-imino-1-(4-methoxyphenethyl)-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, 2-imino-1-(4-methoxyphenethyl)-3-(phenylsulfonyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 2-imino-1-[2-(4-methoxyphenyl)ethyl]-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C26H22N4O4S |
|---|---|
| Molecular Weight | 486.14 g/mol |
| LogP | 3.21277 |
| Topological Polar Surface Area | 106.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.13617 |
| Heavy Atoms | 35 |
| Complexity | 1775.09 |
Chemical Identifiers
| CAS Number | 841207-47-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=CC=C4)C(=O)N5C=CC=CC5=N3 |
Product Overview
5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one (CAS 841207-47-4), with molecular formula C26H22N4O4S and molecular weight 486.14 g/mol. IUPAC: 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one
Property Insights of 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one
The XLogP value of 3.21277 indicates that 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one. Following Lipinski's Rule of Five, 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one 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 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one?
The CAS number of 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one is 841207-47-4.
What is the molecular formula of 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one?
The molecular formula of 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one is C26H22N4O4S.
What is the molecular weight of 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one?
The molecular weight of 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one is 486.14 g/mol.
Where can I buy 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one?
You can request a quote for 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzenesulfonyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.