Pentachloronitrosobenzene
TL;DR: Pentachloronitrosobenzene (CAS 13665-49-1) is a chemical compound with molecular formula C6Cl5NO and molecular weight 276.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentachloro-6-nitrosobenzene
Also Known As: Pentachloronitrosobenzene, C6Cl5NO, Benzene, pentachloronitroso-, 1,2,3,4,5-pentachloro-6-nitrosobenzene, Benzene,1,2,3,4,5-pentachloro-6-nitroso-
| Molecular Formula | C6Cl5NO |
|---|---|
| Molecular Weight | 276.84 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.84225 |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 13665-49-1 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)N=O |
| InChIKey | XDONTVVGRICUEF-UHFFFAOYSA-N |
Product Overview
Pentachloronitrosobenzene (CAS 13665-49-1), with molecular formula C6Cl5NO and molecular weight 276.84 g/mol. IUPAC: 1,2,3,4,5-pentachloro-6-nitrosobenzene.
Chemical Property Profile of Pentachloronitrosobenzene
Property Insights of Pentachloronitrosobenzene
The XLogP value of 4.4 indicates that Pentachloronitrosobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, Pentachloronitrosobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachloronitrosobenzene 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 Pentachloronitrosobenzene?
The CAS number of Pentachloronitrosobenzene is 13665-49-1.
What is the molecular formula of Pentachloronitrosobenzene?
The molecular formula of Pentachloronitrosobenzene is C6Cl5NO.
What is the molecular weight of Pentachloronitrosobenzene?
The molecular weight of Pentachloronitrosobenzene is 276.84 g/mol.
Where can I buy Pentachloronitrosobenzene?
You can request a quote for Pentachloronitrosobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachloronitrosobenzene?
Yes, KEHONG BIO provides custom synthesis services for Pentachloronitrosobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.