![1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one structure](/static/products/254/2549042-97-7.png)
1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one
TL;DR: 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one (CAS 2549042-97-7) is a chemical compound with molecular formula C16H20N4OS and molecular weight 316.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)propyl]pyrrolidin-2-one
Also Known As: 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one, F6754-9436, 1-[3-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)propyl]pyrrolidin-2-one
| Molecular Formula | C16H20N4OS |
|---|---|
| Molecular Weight | 316.14 g/mol |
| LogP | 2.6044 |
| Topological Polar Surface Area | 58.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.13577 |
| Heavy Atoms | 22 |
| Complexity | 711.4789 |
Chemical Identifiers
| CAS Number | 2549042-97-7 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=NC=NC(=C23)NCCCN4CCCC4=O |
Product Overview
1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one (CAS 2549042-97-7), with molecular formula C16H20N4OS and molecular weight 316.14 g/mol. IUPAC: 1-[3-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)propyl]pyrrolidin-2-one.
Chemical Property Profile of 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one
Property Insights of 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one
The XLogP value of 2.6044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one. With a topological polar surface area (TPSA) of 58.12 Ų, 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one has 1 hydrogen bond donor(s) and 5 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 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one?
The CAS number of 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one is 2549042-97-7.
What is the molecular formula of 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one?
The molecular formula of 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one is C16H20N4OS.
What is the molecular weight of 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one?
The molecular weight of 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one is 316.14 g/mol.
Where can I buy 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one?
You can request a quote for 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)propyl]pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.