Oxetoron-hydrogenfumarat
TL;DR: Oxetoron-hydrogenfumarat (CAS 34522-68-4) is a chemical compound with molecular formula C13H9Cl2N3O5S and molecular weight 388.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dichloro-2-hydroxy-3-(4-nitrophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
Also Known As: Oxetoron-hydrogenfumarat, 2H-1,2,4-Benzothiadiazine, 6,7-dichloro-3,4-dihydro-2-hydroxy-3-(4-nitrophenyl)-, 1,1-dioxide, 6,7-dichloro-2-hydroxy-3-(4-nitrophenyl)-3,4-dihydro-1, 6,7-dichloro-2-hydroxy-3-(4-nitrophenyl)-3,4-dihydro-1lambda6,2,4, 6,7-dichloro-2-hydroxy-3-(4-nitrophenyl)-3,4-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
| Molecular Formula | C13H9Cl2N3O5S |
|---|---|
| Molecular Weight | 388.96 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.964 |
| Heavy Atoms | 24 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 34522-68-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2NC3=CC(=C(C=C3S(=O)(=O)N2O)Cl)Cl)[N+](=O)[O-] |
| InChIKey | XZZKFXGPAMRYOJ-UHFFFAOYSA-N |
Product Overview
Oxetoron-hydrogenfumarat (CAS 34522-68-4), with molecular formula C13H9Cl2N3O5S and molecular weight 388.96 g/mol. IUPAC: 6,7-dichloro-2-hydroxy-3-(4-nitrophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
Chemical Property Profile of Oxetoron-hydrogenfumarat
Property Insights of Oxetoron-hydrogenfumarat
The XLogP value of 3.0 indicates that Oxetoron-hydrogenfumarat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxetoron-hydrogenfumarat. Following Lipinski's Rule of Five, Oxetoron-hydrogenfumarat has 2 hydrogen bond donor(s) and 7 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 Oxetoron-hydrogenfumarat?
The CAS number of Oxetoron-hydrogenfumarat is 34522-68-4.
What is the molecular formula of Oxetoron-hydrogenfumarat?
The molecular formula of Oxetoron-hydrogenfumarat is C13H9Cl2N3O5S.
What is the molecular weight of Oxetoron-hydrogenfumarat?
The molecular weight of Oxetoron-hydrogenfumarat is 388.96 g/mol.
Where can I buy Oxetoron-hydrogenfumarat?
You can request a quote for Oxetoron-hydrogenfumarat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxetoron-hydrogenfumarat?
Yes, KEHONG BIO provides custom synthesis services for Oxetoron-hydrogenfumarat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.