C23H16FN5O3S
TL;DR: C23H16FN5O3S (CAS 877808-92-9) is a chemical compound with molecular formula C23H16FN5O3S and molecular weight 461.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)sulfonyl-6-imino-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 3-((4-fluorophenyl)sulfonyl)-2-imino-1-(pyridin-3-ylmethyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-[(4-fluorophenyl)sulfonyl]-2-imino-1-(3-pyridylmethyl)-1,6-dihydropyridino[1 ,2-a]pyridino[2,3-d]pyrimidin-5-one, 3-[(4-fluorophenyl)sulfonyl]-2-imino-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, C23H16FN5O3S
| Molecular Formula | C23H16FN5O3S |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 2.54387 |
| Topological Polar Surface Area | 110.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.0958 |
| Heavy Atoms | 33 |
| Complexity | 1745.8433 |
Chemical Identifiers
| CAS Number | 877808-92-9 |
|---|---|
| SMILES | C1=CC2=NC3=C(C=C(C(=N)N3CC4=CN=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F)C(=O)N2C=C1 |
Product Overview
C23H16FN5O3S (CAS 877808-92-9), with molecular formula C23H16FN5O3S and molecular weight 461.10 g/mol. IUPAC: 5-(4-fluorophenyl)sulfonyl-6-imino-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of C23H16FN5O3S
Property Insights of C23H16FN5O3S
The XLogP value of 2.54387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C23H16FN5O3S. The TPSA of 110.18 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H16FN5O3S. Following Lipinski's Rule of Five, C23H16FN5O3S 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 C23H16FN5O3S?
The CAS number of C23H16FN5O3S is 877808-92-9.
What is the molecular formula of C23H16FN5O3S?
The molecular formula of C23H16FN5O3S is C23H16FN5O3S.
What is the molecular weight of C23H16FN5O3S?
The molecular weight of C23H16FN5O3S is 461.10 g/mol.
Where can I buy C23H16FN5O3S?
You can request a quote for C23H16FN5O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H16FN5O3S?
Yes, KEHONG BIO provides custom synthesis services for C23H16FN5O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.