RefChem:1054928
TL;DR: RefChem:1054928 (CAS 55580-03-5) is a chemical compound with molecular formula C15H23ClN2O3 and molecular weight 314.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(Z)-(7-methoxy-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxy-N,N-dimethylethanamine;hydrochloride
Also Known As: 7-Methoxy-3,4-dihydro-1-benzoxepin-O-(dimethylaminopropyl)-5-one oxime hydrochloride, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methoxy-, O-(2-(dimethylamino)ethyl)oxime, monohydrochloride, 2-[(Z)-(7-methoxy-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxy-N,N-dimethylethanamine hydrochloride, RefChem:1054928
| Molecular Formula | C15H23ClN2O3 |
|---|---|
| Molecular Weight | 314.14 g/mol |
| LogP | 2.5719 |
| Topological Polar Surface Area | 43.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1397 |
| Heavy Atoms | 21 |
| Complexity | 477.98657 |
Chemical Identifiers
| CAS Number | 55580-03-5 |
|---|---|
| SMILES | CN(C)CCO/N=C\1/CCCOC2=C1C=C(C=C2)OC.Cl |
Product Overview
RefChem:1054928 (CAS 55580-03-5), with molecular formula C15H23ClN2O3 and molecular weight 314.14 g/mol. IUPAC: 2-[(Z)-(7-methoxy-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxy-N,N-dimethylethanamine;hydrochloride.
Chemical Property Profile of RefChem:1054928
Property Insights of RefChem:1054928
The XLogP value of 2.5719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054928. With a topological polar surface area (TPSA) of 43.29 Ų, RefChem:1054928 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054928 has 0 hydrogen bond donor(s) and 5 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:1054928?
The CAS number of RefChem:1054928 is 55580-03-5.
What is the molecular formula of RefChem:1054928?
The molecular formula of RefChem:1054928 is C15H23ClN2O3.
What is the molecular weight of RefChem:1054928?
The molecular weight of RefChem:1054928 is 314.14 g/mol.
Where can I buy RefChem:1054928?
You can request a quote for RefChem:1054928 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054928?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054928 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.