AB00078274-01
TL;DR: AB00078274-01 (CAS 129587-28-6) is a chemical compound with molecular formula C17H17ClN2O5 and molecular weight 364.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-3-nitro-5-oxo-8,9,10,11-tetrahydro-7H-azepino[1,2-a]quinoline-6-carboxylate
Also Known As: AB00078274-01, AH-262/36201011, ethyl 2-chloro-3-nitro-5-oxo-5,7,8,9,10,11-hexahydroazepino[1,2-a]quinoline-6-carboxylate, ethyl 2-chloro-3-nitro-5-oxo-8,9,10,11-tetrahydro-7H-azepino[1,2-a]quinoline-6-carboxylate
| Molecular Formula | C17H17ClN2O5 |
|---|---|
| Molecular Weight | 364.08 g/mol |
| LogP | 3.4662 |
| Topological Polar Surface Area | 91.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.0826 |
| Heavy Atoms | 25 |
| Complexity | 935.00574 |
Chemical Identifiers
| CAS Number | 129587-28-6 |
|---|---|
| SMILES | CCOC(=O)C1=C2CCCCCN2C3=CC(=C(C=C3C1=O)[N+](=O)[O-])Cl |
Product Overview
AB00078274-01 (CAS 129587-28-6), with molecular formula C17H17ClN2O5 and molecular weight 364.08 g/mol. IUPAC: ethyl 2-chloro-3-nitro-5-oxo-8,9,10,11-tetrahydro-7H-azepino[1,2-a]quinoline-6-carboxylate.
Chemical Property Profile of AB00078274-01
Property Insights of AB00078274-01
The XLogP value of 3.4662 indicates that AB00078274-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00078274-01. Following Lipinski's Rule of Five, AB00078274-01 has 0 hydrogen bond donor(s) and 5 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 AB00078274-01?
The CAS number of AB00078274-01 is 129587-28-6.
What is the molecular formula of AB00078274-01?
The molecular formula of AB00078274-01 is C17H17ClN2O5.
What is the molecular weight of AB00078274-01?
The molecular weight of AB00078274-01 is 364.08 g/mol.
Where can I buy AB00078274-01?
You can request a quote for AB00078274-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00078274-01?
Yes, KEHONG BIO provides custom synthesis services for AB00078274-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.