RefChem:227835
TL;DR: RefChem:227835 (CAS 96401-70-6) is a chemical compound with molecular formula C17H26Cl2N2O2 and molecular weight 360.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one;dihydrochloride
Also Known As: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-((4-methyl-1-piperazinyl)methyl)-, dihydrochloride, 3,4-Dihydro-7-methyl-4-((4-methyl-1-piperazinyl)methyl)-1-benzoxepin-5(2H)-one 2HCl, 7-methyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one dihydrochloride, 7-Methyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1-benzoxepin-5(2H)-one--hydrogen chloride (1/2), RefChem:227835
| Molecular Formula | C17H26Cl2N2O2 |
|---|---|
| Molecular Weight | 360.14 g/mol |
| LogP | 2.67 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.13715 |
| Heavy Atoms | 23 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 96401-70-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCCC(C2=O)CN3CCN(CC3)C.Cl.Cl |
| InChIKey | ZTFKKHILHFCEGR-UHFFFAOYSA-N |
Product Overview
RefChem:227835 (CAS 96401-70-6), with molecular formula C17H26Cl2N2O2 and molecular weight 360.14 g/mol. IUPAC: 7-methyl-4-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one;dihydrochloride.
Chemical Property Profile of RefChem:227835
Property Insights of RefChem:227835
The XLogP value of 2.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:227835. With a topological polar surface area (TPSA) of 32.8 Ų, RefChem:227835 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:227835 has 2 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:227835?
The CAS number of RefChem:227835 is 96401-70-6.
What is the molecular formula of RefChem:227835?
The molecular formula of RefChem:227835 is C17H26Cl2N2O2.
What is the molecular weight of RefChem:227835?
The molecular weight of RefChem:227835 is 360.14 g/mol.
Where can I buy RefChem:227835?
You can request a quote for RefChem:227835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227835?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.