![2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide structure](/static/products/370/370852-33-8.png)
2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide
TL;DR: 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide (CAS 370852-33-8) is a chemical compound with molecular formula C20H28N4O3S and molecular weight 404.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-4-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-triene-6-carboxamide
Also Known As: 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide, 2-methyl-N-[3-(morpholin-4-yl)propyl]-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide
| Molecular Formula | C20H28N4O3S |
|---|---|
| Molecular Weight | 404.19 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.1882 |
| Heavy Atoms | 28 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 370852-33-8 |
|---|---|
| SMILES | CC1=C(C2=C(S1)C(=O)N3CCCCCC3=N2)C(=O)NCCCN4CCOCC4 |
| InChIKey | GXIVAANGFYOVPY-UHFFFAOYSA-N |
Product Overview
2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide (CAS 370852-33-8), with molecular formula C20H28N4O3S and molecular weight 404.19 g/mol. IUPAC: 5-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-4-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-triene-6-carboxamide.
Chemical Property Profile of 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide
Property Insights of 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide. Following Lipinski's Rule of Five, 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide 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 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide?
The CAS number of 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide is 370852-33-8.
What is the molecular formula of 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide?
The molecular formula of 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide is C20H28N4O3S.
What is the molecular weight of 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide?
The molecular weight of 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide is 404.19 g/mol.
Where can I buy 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide?
You can request a quote for 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-(3-morpholinopropyl)-11-oxo-5,6,7,8,9,11-hexahydrothieno[3',2':4,5]pyrimido[1,2-a]azepine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.