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3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one
TL;DR: 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one (CAS 59614-96-9) is a chemical compound with molecular formula C13H11NO and molecular weight 197.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-azatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one
Also Known As: 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one, 10-Azatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one
| Molecular Formula | C13H11NO |
|---|---|
| Molecular Weight | 197.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.08406 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 59614-96-9 |
|---|---|
| SMILES | C1CC(=O)NC2=CC=CC3=C2C1=CC=C3 |
| InChIKey | LEKVQZIPZIJLRJ-UHFFFAOYSA-N |
Product Overview
3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one (CAS 59614-96-9), with molecular formula C13H11NO and molecular weight 197.08 g/mol. IUPAC: 10-azatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-one.
Chemical Property Profile of 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one
Property Insights of 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one has 1 hydrogen bond donor(s) and 1 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 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one?
The CAS number of 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one is 59614-96-9.
What is the molecular formula of 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one?
The molecular formula of 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one is C13H11NO.
What is the molecular weight of 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one?
The molecular weight of 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one is 197.08 g/mol.
Where can I buy 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one?
You can request a quote for 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydronaphtho[1,8-bc]azepin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.