C22H15BrN4O4S
TL;DR: C22H15BrN4O4S (CAS 577984-78-2) is a chemical compound with molecular formula C22H15BrN4O4S and molecular weight 510.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)sulfonyl-7-(furan-2-ylmethyl)-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 3-brosyl-1-(2-furfuryl)-2-imino-dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one, 2-azanylidene-3-(4-bromophenyl)sulfonyl-1-(furan-2-ylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidin-5-one, 3-((4-bromophenyl)sulfonyl)-1-(furan-2-ylmethyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-(4-bromophenyl)sulfonyl-1-(2-furanylmethyl)-2-imino-5-dipyrido[1,2-d:3'',4''-f]pyrimidinone, 3-(4-bromophenyl)sulfonyl-1-(furan-2-ylmethyl)-2-iminodipyrido[1,2-d:3'',4''-f]pyrimidin-5-one
| Molecular Formula | C22H15BrN4O4S |
|---|---|
| Molecular Weight | 510.00 g/mol |
| LogP | 3.36527 |
| Topological Polar Surface Area | 110.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.99973 |
| Heavy Atoms | 32 |
| Complexity | 1704.0475 |
Chemical Identifiers
| CAS Number | 577984-78-2 |
|---|---|
| SMILES | C1=CC2=NC3=C(C=C(C(=N)N3CC4=CC=CO4)S(=O)(=O)C5=CC=C(C=C5)Br)C(=O)N2C=C1 |
Product Overview
C22H15BrN4O4S (CAS 577984-78-2), with molecular formula C22H15BrN4O4S and molecular weight 510.00 g/mol. IUPAC: 5-(4-bromophenyl)sulfonyl-7-(furan-2-ylmethyl)-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of C22H15BrN4O4S
Property Insights of C22H15BrN4O4S
The XLogP value of 3.36527 indicates that C22H15BrN4O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.43 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H15BrN4O4S. Following Lipinski's Rule of Five, C22H15BrN4O4S has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H15BrN4O4S?
The CAS number of C22H15BrN4O4S is 577984-78-2.
What is the molecular formula of C22H15BrN4O4S?
The molecular formula of C22H15BrN4O4S is C22H15BrN4O4S.
What is the molecular weight of C22H15BrN4O4S?
The molecular weight of C22H15BrN4O4S is 510.00 g/mol.
Where can I buy C22H15BrN4O4S?
You can request a quote for C22H15BrN4O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H15BrN4O4S?
Yes, KEHONG BIO provides custom synthesis services for C22H15BrN4O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.