![2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one structure](/static/products/978/97826-65-8.png)
2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one
TL;DR: 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one (CAS 97826-65-8) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6,7-tetrahydro-1H-cyclopenta[b]azepin-8-one
Also Known As: 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one, 2,3,6,7-tetrahydrocyclopenta[b]azepin-8(1H)-one, 1H,2H,3H,6H,7H,8H-cyclopenta[b]azepin-8-one, 2,3,6,7-tetrahydro-cyclopent[b]azepin-8(1H)-one, 2,3,6,7-tetrahydro-1H-cyclopenta[b]azepin-8-one
| Molecular Formula | C9H11NO |
|---|---|
| Molecular Weight | 149.08 g/mol |
| LogP | 1.1529 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.08406 |
| Heavy Atoms | 11 |
| Complexity | 250.28835 |
Chemical Identifiers
| CAS Number | 97826-65-8 |
|---|---|
| SMILES | C1CNC2=C(CCC2=O)C=C1 |
Product Overview
2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one (CAS 97826-65-8), with molecular formula C9H11NO and molecular weight 149.08 g/mol. IUPAC: 2,3,6,7-tetrahydro-1H-cyclopenta[b]azepin-8-one.
Chemical Property Profile of 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one
Property Insights of 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one
The XLogP value of 1.1529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one. With a topological polar surface area (TPSA) of 29.1 Ų, 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one has 1 hydrogen bond donor(s) and 2 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 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one?
The CAS number of 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one is 97826-65-8.
What is the molecular formula of 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one?
The molecular formula of 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one is C9H11NO.
What is the molecular weight of 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one?
The molecular weight of 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one is 149.08 g/mol.
Where can I buy 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one?
You can request a quote for 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6,7-Tetrahydrocyclopent[b]azepin-8(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.