![3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium structure](/static/products/958/958-71-4.png)
3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium
TL;DR: 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium (CAS 958-71-4) is a chemical compound with molecular formula C13H8Cl2N2O and molecular weight 278.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium
Also Known As: 3,8-Dichloro-11H-dibenzo[c,f][1,2]diazepine5-oxide, 3,8-Dichloro-11H-dibenzo[c,f][1,2]diazepine 5-oxide, 3,8-Dichloro-11H-dibenzo[c,f][1,2]diazepine N-oxide, 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium, 6,13-dichloro-9,10-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-9-ium-9-olate
| Molecular Formula | C13H8Cl2N2O |
|---|---|
| Molecular Weight | 278.00 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.00137 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 958-71-4 |
|---|---|
| SMILES | C1C2=C(C=C(C=C2)Cl)N=[N+](C3=C1C=CC(=C3)Cl)[O-] |
| InChIKey | OLBZNSHRJRLTDG-UHFFFAOYSA-N |
Product Overview
3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium (CAS 958-71-4), with molecular formula C13H8Cl2N2O and molecular weight 278.00 g/mol. IUPAC: 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium.
Chemical Property Profile of 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium
Property Insights of 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium
The XLogP value of 4.4 indicates that 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium has 0 hydrogen bond donor(s) and 2 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 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium?
The CAS number of 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium is 958-71-4.
What is the molecular formula of 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium?
The molecular formula of 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium is C13H8Cl2N2O.
What is the molecular weight of 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium?
The molecular weight of 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium is 278.00 g/mol.
Where can I buy 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium?
You can request a quote for 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium?
Yes, KEHONG BIO provides custom synthesis services for 3,8-dichloro-5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.