5-23-03-00152 (Beilstein Handbook Reference)
TL;DR: 5-23-03-00152 (Beilstein Handbook Reference) (CAS 55037-96-2) is a chemical compound with molecular formula C17H26N2O2S and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine
Also Known As: 5-23-03-00152 (Beilstein Handbook Reference), Piperazine, 1-(methylsulfonyl)-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, 2-(4-Methanesulfonylpiperazinomethyl)-6,7,8,9-tetrahydro-5H-benzocycloheptene, 1-(Methylsulfonyl)-4-((6,7,8,9-tetrahydro-5H-benzocycloheptene-2-yl)methyl)piperazine, 1-(Methanesulfonyl)-4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)methyl]piperazine
| Molecular Formula | C17H26N2O2S |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 2.0327 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.1715 |
| Heavy Atoms | 22 |
| Complexity | 619.54614 |
Chemical Identifiers
| CAS Number | 55037-96-2 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(CCCCC3)C=C2 |
Product Overview
5-23-03-00152 (Beilstein Handbook Reference) (CAS 55037-96-2), with molecular formula C17H26N2O2S and molecular weight 322.17 g/mol. IUPAC: 1-methylsulfonyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine.
Chemical Property Profile of 5-23-03-00152 (Beilstein Handbook Reference)
Property Insights of 5-23-03-00152 (Beilstein Handbook Reference)
The XLogP value of 2.0327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-23-03-00152 (Beilstein Handbook Reference). With a topological polar surface area (TPSA) of 40.62 Ų, 5-23-03-00152 (Beilstein Handbook Reference) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-23-03-00152 (Beilstein Handbook Reference) has 0 hydrogen bond donor(s) and 3 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 5-23-03-00152 (Beilstein Handbook Reference)?
The CAS number of 5-23-03-00152 (Beilstein Handbook Reference) is 55037-96-2.
What is the molecular formula of 5-23-03-00152 (Beilstein Handbook Reference)?
The molecular formula of 5-23-03-00152 (Beilstein Handbook Reference) is C17H26N2O2S.
What is the molecular weight of 5-23-03-00152 (Beilstein Handbook Reference)?
The molecular weight of 5-23-03-00152 (Beilstein Handbook Reference) is 322.17 g/mol.
Where can I buy 5-23-03-00152 (Beilstein Handbook Reference)?
You can request a quote for 5-23-03-00152 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-23-03-00152 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-23-03-00152 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.