亚当氏毒气
TL;DR: 亚当氏毒气 (CAS 578-94-9) is a chemical compound with molecular formula C12H9AsClN and molecular weight 276.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚当氏毒气
10-chloro-5H-phenarsazinine
Also Known As: Adamsite, Adamsit, Phenarsazine chloride, Diphenylaminechlorarsine, Phenazarsine chloride
| Molecular Formula | C12H9AsClN |
|---|---|
| Molecular Weight | 276.96 g/mol |
| LogP | 2.09 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.96396 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
| Melting Point | 195 °C |
| Boiling Point | 410 °C (decomposes) |
| Density | 1.65 |
| Solubility | Practically insoluble in water. Slightly soluble in benzene, xylene and carbon tetrachloride. |
| Vapor Pressure | 2X10-13 mm Hg at 20 °C |
Chemical Identifiers
| CAS Number | 578-94-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC3=CC=CC=C3[As]2Cl |
| InChIKey | PBNSPNYJYOYWTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亚当氏毒气 (CAS 578-94-9), with molecular formula C12H9AsClN and molecular weight 276.96 g/mol. IUPAC: 10-chloro-5H-phenarsazinine.
Chemical Property Profile of 亚当氏毒气
Property Insights of 亚当氏毒气
The XLogP value of 2.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 亚当氏毒气. With a topological polar surface area (TPSA) of 12.0 Ų, 亚当氏毒气 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 亚当氏毒气 has 1 hydrogen bond donor(s) and 1 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 亚当氏毒气?
The CAS number of 亚当氏毒气 is 578-94-9.
What is the molecular formula of 亚当氏毒气?
The molecular formula of 亚当氏毒气 is C12H9AsClN.
What is the molecular weight of 亚当氏毒气?
The molecular weight of 亚当氏毒气 is 276.96 g/mol.
Where can I buy 亚当氏毒气?
You can request a quote for 亚当氏毒气 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚当氏毒气?
Yes, KEHONG BIO provides custom synthesis services for 亚当氏毒气 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.