RefChem:1074278
TL;DR: RefChem:1074278 (CAS 56071-17-1) 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.
7,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzoxepin-5-one;dihydrochloride
Also Known As: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7,8-dimethyl-4-(4-methyl-1-piperazinyl)-, dihydrochloride, 7,8-Dimethyl-4-(4-methyl-1-piperazinyl)-3,4-dihydro-1-benzoxepin-5(2H)-one dihydrochloride, 7,8-Dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1-benzoxepin-5(2H)-one--hydrogen chloride (1/2), 7,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzoxepin-5-one dihydrochloride, RefChem:1074278
| Molecular Formula | C17H26Cl2N2O2 |
|---|---|
| Molecular Weight | 360.14 g/mol |
| LogP | 2.73 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 360.13715 |
| Heavy Atoms | 23 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 56071-17-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OCCC(C2=O)N3CCN(CC3)C.Cl.Cl |
| InChIKey | PJQRAPRKWLMRKE-UHFFFAOYSA-N |
Product Overview
RefChem:1074278 (CAS 56071-17-1), with molecular formula C17H26Cl2N2O2 and molecular weight 360.14 g/mol. IUPAC: 7,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzoxepin-5-one;dihydrochloride.
Chemical Property Profile of RefChem:1074278
Property Insights of RefChem:1074278
The XLogP value of 2.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1074278. With a topological polar surface area (TPSA) of 32.8 Ų, RefChem:1074278 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1074278 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:1074278?
The CAS number of RefChem:1074278 is 56071-17-1.
What is the molecular formula of RefChem:1074278?
The molecular formula of RefChem:1074278 is C17H26Cl2N2O2.
What is the molecular weight of RefChem:1074278?
The molecular weight of RefChem:1074278 is 360.14 g/mol.
Where can I buy RefChem:1074278?
You can request a quote for RefChem:1074278 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074278?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074278 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.