3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one
TL;DR: 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one (CAS 577762-94-8) is a chemical compound with molecular formula C23H22BrN5O4S and molecular weight 543.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)sulfonyl-6-imino-7-(2-morpholin-4-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one, 3-((4-bromophenyl)sulfonyl)-2-imino-1-(2-morpholinoethyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-[(4-bromophenyl)sulfonyl]-2-imino-1-[2-(morpholin-4-yl)ethyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C23H22BrN5O4S |
|---|---|
| Molecular Weight | 543.06 g/mol |
| LogP | 2.05617 |
| Topological Polar Surface Area | 109.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 543.0576 |
| Heavy Atoms | 34 |
| Complexity | 1607.2892 |
Chemical Identifiers
| CAS Number | 577762-94-8 |
|---|---|
| SMILES | C1COCCN1CCN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)N5C=CC=CC5=N3 |
Product Overview
3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one (CAS 577762-94-8), with molecular formula C23H22BrN5O4S and molecular weight 543.06 g/mol. IUPAC: 5-(4-bromophenyl)sulfonyl-6-imino-7-(2-morpholin-4-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one
Property Insights of 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one
The XLogP value of 2.05617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one. The TPSA of 109.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one. Following Lipinski's Rule of Five, 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one?
The CAS number of 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one is 577762-94-8.
What is the molecular formula of 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one?
The molecular formula of 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one is C23H22BrN5O4S.
What is the molecular weight of 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one?
The molecular weight of 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one is 543.06 g/mol.
Where can I buy 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one?
You can request a quote for 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromo-benzenesulfonyl)-2-imino-1-(2-morpholin-4-yl-ethyl)-1,2-dihydro-1,9,10a-triaza-anthracen-1 0-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.