![4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide structure](/static/products/7534/753468-21-2.webp)
4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide
TL;DR: 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide (CAS 753468-21-2) is a chemical compound with molecular formula C21H23FN4O3S2 and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide
Also Known As: 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide, 4-Fluoro-3-methyl-N-{2-[(morpholin-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl}benzene-1-sulfonamide
| Molecular Formula | C21H23FN4O3S2 |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 3.26052 |
| Topological Polar Surface Area | 84.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.11957 |
| Heavy Atoms | 31 |
| Complexity | 1253.2336 |
Chemical Identifiers
| CAS Number | 753468-21-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)NC2=C3C4=C(CCC4)SC3=NC(=N2)CN5CCOCC5)F |
Product Overview
4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide (CAS 753468-21-2), with molecular formula C21H23FN4O3S2 and molecular weight 462.12 g/mol. IUPAC: 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide.
Chemical Property Profile of 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide
Property Insights of 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide
The XLogP value of 3.26052 indicates that 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide. Following Lipinski's Rule of Five, 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide has 1 hydrogen bond donor(s) and 7 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 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide?
The CAS number of 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide is 753468-21-2.
What is the molecular formula of 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide?
The molecular formula of 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide is C21H23FN4O3S2.
What is the molecular weight of 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide?
The molecular weight of 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide is 462.12 g/mol.
Where can I buy 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide?
You can request a quote for 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-fluoro-3-methyl-N-[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.