RefChem:1091642
TL;DR: RefChem:1091642 (CAS 87576-05-4) is a chemical compound with molecular formula C18H31Cl2N3O2 and molecular weight 391.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-ium;N'-butyl-2-(4-chlorophenoxy)acetohydrazide;chloride
Also Known As: azepan-1-ium; N'-butyl-2-(4-chlorophenoxy)acetohydrazide; chloride, (4-Chlorophenoxy)acetic acid 2-(3-(hexahydro-1H-azepin-1-yl)propyl)hydrazide hydrochloride, Acetic acid, (4-chlorophenoxy)-, 2-(3-(hexahydro-1H-azepin-1-yl)propyl)hydrazide, monohydrochloride, ACETIC ACID, (4-CHLOROPHENOXY)-, 2-(3-(HEXAHYDRO-1H-AZEPIN-1-YL)PROPYL)HYDRAZIDE, N-Butyl-2-(4-chlorophenoxy)ethanehydrazonic acid--azepane--hydrogen chloride (1/1/1)
| Molecular Formula | C18H31Cl2N3O2 |
|---|---|
| Molecular Weight | 391.18 g/mol |
| LogP | -0.73 |
| Topological Polar Surface Area | 67.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.17932 |
| Heavy Atoms | 25 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 87576-05-4 |
|---|---|
| SMILES | CCCCNNC(=O)COC1=CC=C(C=C1)Cl.C1CCC[NH2+]CC1.[Cl-] |
| InChIKey | CRBCDMQTTRHKBC-UHFFFAOYSA-N |
Product Overview
RefChem:1091642 (CAS 87576-05-4), with molecular formula C18H31Cl2N3O2 and molecular weight 391.18 g/mol. IUPAC: azepan-1-ium;N'-butyl-2-(4-chlorophenoxy)acetohydrazide;chloride.
Chemical Property Profile of RefChem:1091642
Property Insights of RefChem:1091642
The XLogP value of -0.73 indicates that RefChem:1091642 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1091642. Following Lipinski's Rule of Five, RefChem:1091642 has 3 hydrogen bond donor(s) and 4 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 RefChem:1091642?
The CAS number of RefChem:1091642 is 87576-05-4.
What is the molecular formula of RefChem:1091642?
The molecular formula of RefChem:1091642 is C18H31Cl2N3O2.
What is the molecular weight of RefChem:1091642?
The molecular weight of RefChem:1091642 is 391.18 g/mol.
Where can I buy RefChem:1091642?
You can request a quote for RefChem:1091642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1091642?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1091642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.