![7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one structure](/static/products/3792/379237-24-8.webp)
7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one
TL;DR: 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one (CAS 379237-24-8) is a chemical compound with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-20-(oxolan-2-ylmethylamino)-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one
Also Known As: 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one, 11-methyl-5-[(oxolan-2-ylmethyl)amino]-7,9,10,11,12-pentahydrobenzo[b]thiophen o[2,3-d]phthalazino[2,1-a]pyrimidin-8-one, 11-methyl-5-[(tetrahydro-2-furanylmethyl)amino]-9,10,11,12-tetrahydro-8H-[1]benzothieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, 7-methyl-20-[(oxolan-2-ylmethyl)amino]-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one
| Molecular Formula | C23H24N4O2S |
|---|---|
| Molecular Weight | 420.16 g/mol |
| LogP | 4.1731 |
| Topological Polar Surface Area | 68.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.162 |
| Heavy Atoms | 30 |
| Complexity | 1336.2863 |
Chemical Identifiers
| CAS Number | 379237-24-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N4C(=N3)C5=CC=CC=C5C(=N4)NCC6CCCO6 |
Product Overview
7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one (CAS 379237-24-8), with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol. IUPAC: 7-methyl-20-(oxolan-2-ylmethylamino)-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one.
Chemical Property Profile of 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one
Property Insights of 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one
The XLogP value of 4.1731 indicates that 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one. Following Lipinski's Rule of Five, 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one 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 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one?
The CAS number of 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one is 379237-24-8.
What is the molecular formula of 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one?
The molecular formula of 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one is C23H24N4O2S.
What is the molecular weight of 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one?
The molecular weight of 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one is 420.16 g/mol.
Where can I buy 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one?
You can request a quote for 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-20-{[(oxolan-2-yl)methyl]amino}-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.