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1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine
TL;DR: 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine (CAS 727674-90-0) is a chemical compound with molecular formula C14H6Cl2N2O5 and molecular weight 351.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-7,9-dinitrobenzo[b][1]benzoxepine
Also Known As: 6,8-dichloro-1,3-dinitrodibenzo[b,f]oxepine, 1,3-dichloro-7,9-dinitrobenzo[b][1]benzoxepine, 6,8-dichloro-1,3-dinitrodibenzo[b,f]oxepin, A3767/0159779
| Molecular Formula | C14H6Cl2N2O5 |
|---|---|
| Molecular Weight | 351.97 g/mol |
| LogP | 5.0859 |
| Topological Polar Surface Area | 95.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.96536 |
| Heavy Atoms | 23 |
| Complexity | 895.22174 |
Chemical Identifiers
| CAS Number | 727674-90-0 |
|---|---|
| SMILES | C1=CC2=C(C=C(C=C2OC3=C1C=C(C=C3Cl)Cl)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine (CAS 727674-90-0), with molecular formula C14H6Cl2N2O5 and molecular weight 351.97 g/mol. IUPAC: 1,3-dichloro-7,9-dinitrobenzo[b][1]benzoxepine.
Chemical Property Profile of 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine
Property Insights of 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine
The XLogP value of 5.0859 indicates that 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine. Following Lipinski's Rule of Five, 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine?
The CAS number of 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine is 727674-90-0.
What is the molecular formula of 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine?
The molecular formula of 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine is C14H6Cl2N2O5.
What is the molecular weight of 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine?
The molecular weight of 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine is 351.97 g/mol.
Where can I buy 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine?
You can request a quote for 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloro-7,9-dinitrobenzo[b][1]benzoxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.