1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester
TL;DR: 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester (CAS 56958-61-3) is a chemical compound with molecular formula C21H21FN2O3 and molecular weight 368.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-fluorobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylate
Also Known As: 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester, Ethyl 4-(fluorodibenz(b,f)oxepin-10-yl)-1-piperazinecarboxylate, 4-(Fluorodibenz(b,f)oxepin-10-yl)-1-piperazinecarboxylic acid ethyl ester, Ethyl 4-(11-fluorodibenzo[b,f]oxepin-10-yl)piperazine-1-carboxylate, ethyl 4-(5-fluorobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylate
| Molecular Formula | C21H21FN2O3 |
|---|---|
| Molecular Weight | 368.15 g/mol |
| LogP | 4.3617 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.15363 |
| Heavy Atoms | 27 |
| Complexity | 888.50037 |
Chemical Identifiers
| CAS Number | 56958-61-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=C(C3=CC=CC=C3OC4=CC=CC=C42)F |
Product Overview
1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester (CAS 56958-61-3), with molecular formula C21H21FN2O3 and molecular weight 368.15 g/mol. IUPAC: ethyl 4-(5-fluorobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylate.
Chemical Property Profile of 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester
Property Insights of 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester
The XLogP value of 4.3617 indicates that 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester has 0 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 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester?
The CAS number of 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester is 56958-61-3.
What is the molecular formula of 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester?
The molecular formula of 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester is C21H21FN2O3.
What is the molecular weight of 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester?
The molecular weight of 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester is 368.15 g/mol.
Where can I buy 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester?
You can request a quote for 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxylic acid, 4-(fluorodibenz(b,f)oxepin-10-yl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.