RefChem:1054936
TL;DR: RefChem:1054936 (CAS 56177-72-1) is a chemical compound with molecular formula C17H26N2O2 and molecular weight 290.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S)-7,8-dimethyl-4-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
Also Known As: 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-7,8-dimethyl-4-(4-methyl-1-piperazinyl)-, (Z)-, cis-7,8-Dimethyl-4-(4-methyl-1-piperazinyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol, (4R,5S)-7,8-dimethyl-4-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol, RefChem:1054936, BRN 0806461
| Molecular Formula | C17H26N2O2 |
|---|---|
| Molecular Weight | 290.20 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.19943 |
| Heavy Atoms | 21 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 56177-72-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OCC[C@H]([C@H]2O)N3CCN(CC3)C |
| InChIKey | KBSNTLZPSVLGIS-WBVHZDCISA-N |
Product Overview
RefChem:1054936 (CAS 56177-72-1), with molecular formula C17H26N2O2 and molecular weight 290.20 g/mol. IUPAC: (4R,5S)-7,8-dimethyl-4-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol.
Chemical Property Profile of RefChem:1054936
Property Insights of RefChem:1054936
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054936. With a topological polar surface area (TPSA) of 35.9 Ų, RefChem:1054936 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054936 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
Frequently Asked Questions
What is the CAS number of RefChem:1054936?
The CAS number of RefChem:1054936 is 56177-72-1.
What is the molecular formula of RefChem:1054936?
The molecular formula of RefChem:1054936 is C17H26N2O2.
What is the molecular weight of RefChem:1054936?
The molecular weight of RefChem:1054936 is 290.20 g/mol.
Where can I buy RefChem:1054936?
You can request a quote for RefChem:1054936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054936?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.