Ahn 086
TL;DR: Ahn 086 (CAS 103625-22-5) is a chemical compound with molecular formula C18H14Cl3N3OS and molecular weight 424.9923 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one;hydrochloride
Also Known As: AHN 086, 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(4-chlorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-, monohydrochloride, 7-chloro-5-(4-chlorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one;hydrochloride, 1-(2-Isothiocyanatoethyl)-7-chloro-1,3-dihydro-5-(4-chlorophenyl)-2H-1,4-benzodiazepine-2-one HCl, 1-(2-isothiocyanatoethyl)-7-chloro-1,3-dihydro-5-(4-chlorophenyl)-2H-1,4-benzodiazepine-2-one
Technical Specifications
| Molecular Formula | C18H14Cl3N3OS |
| Molecular Weight | 424.9923 g/mol |
| XLogP | 4.702 |
| Topological Polar Surface Area (TPSA) | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.9923 Da |
| Heavy Atoms | 26 |
| Complexity | 571.0 |
| SMILES | C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)Cl)CCN=C=S.Cl |
| InChIKey | ITUTZPYBBPRLKR-UHFFFAOYSA-N |
Chemical Property Profile of Ahn 086
Property Insights of Ahn 086
The XLogP value of 4.702 indicates that Ahn 086 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ahn 086. Following Lipinski's Rule of Five, Ahn 086 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ahn 086?
The CAS number of Ahn 086 is 103625-22-5.
What is the molecular formula of Ahn 086?
The molecular formula of Ahn 086 is C18H14Cl3N3OS.
What is the molecular weight of Ahn 086?
The molecular weight of Ahn 086 is 424.9923 g/mol.
Where can I buy Ahn 086?
You can request a quote for Ahn 086 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ahn 086?
Yes, CoreyChem provides custom synthesis services for Ahn 086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.