![N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide structure](/static/products/2999/299962-41-7.webp)
N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide
TL;DR: N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide (CAS 299962-41-7) is a chemical compound with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(10-oxo-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17),13,15-pentaen-16-yl)acetamide
Also Known As: N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide, Acetamide, N-(7,8,9,10,11,13-hexahydro-13-oxo[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)-, N-(13-Oxo-7,8,9,10,11,13-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide #
| Molecular Formula | C17H17N3O2S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.10416 |
| Heavy Atoms | 23 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 299962-41-7 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC2=C1SC3=C2C(=O)N4CCCCCC4=N3 |
| InChIKey | ULFAKDNEAPTMOR-UHFFFAOYSA-N |
Product Overview
N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide (CAS 299962-41-7), with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol. IUPAC: N-(10-oxo-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17),13,15-pentaen-16-yl)acetamide.
Chemical Property Profile of N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide
Property Insights of N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide. Following Lipinski's Rule of Five, N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide has 1 hydrogen bond donor(s) and 4 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 N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide?
The CAS number of N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide is 299962-41-7.
What is the molecular formula of N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide?
The molecular formula of N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide is C17H17N3O2S.
What is the molecular weight of N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide?
The molecular weight of N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide is 327.10 g/mol.
Where can I buy N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide?
You can request a quote for N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(13-oxo-7,8,9,10,11,13-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.