C27H23BrN4O5S
TL;DR: C27H23BrN4O5S (CAS 674356-13-9) is a chemical compound with molecular formula C27H23BrN4O5S and molecular weight 594.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)sulfonyl-7-[2-(3,4-dimethoxyphenyl)ethyl]-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-((4-bromophenyl)sulfonyl)-1-(3,4-dimethoxyphenethyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-[(4-bromophenyl)sulfonyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, C27H23BrN4O5S
| Molecular Formula | C27H23BrN4O5S |
|---|---|
| Molecular Weight | 594.06 g/mol |
| LogP | 3.98387 |
| Topological Polar Surface Area | 115.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 594.05725 |
| Heavy Atoms | 38 |
| Complexity | 1915.588 |
Chemical Identifiers
| CAS Number | 674356-13-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)N5C=CC=CC5=N3)OC |
Product Overview
C27H23BrN4O5S (CAS 674356-13-9), with molecular formula C27H23BrN4O5S and molecular weight 594.06 g/mol. IUPAC: 5-(4-bromophenyl)sulfonyl-7-[2-(3,4-dimethoxyphenyl)ethyl]-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 C27H23BrN4O5S
Property Insights of C27H23BrN4O5S
The XLogP value of 3.98387 indicates that C27H23BrN4O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.75 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H23BrN4O5S. Following Lipinski's Rule of Five, C27H23BrN4O5S 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 C27H23BrN4O5S?
The CAS number of C27H23BrN4O5S is 674356-13-9.
What is the molecular formula of C27H23BrN4O5S?
The molecular formula of C27H23BrN4O5S is C27H23BrN4O5S.
What is the molecular weight of C27H23BrN4O5S?
The molecular weight of C27H23BrN4O5S is 594.06 g/mol.
Where can I buy C27H23BrN4O5S?
You can request a quote for C27H23BrN4O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H23BrN4O5S?
Yes, KEHONG BIO provides custom synthesis services for C27H23BrN4O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.