![But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1) structure](/static/products/1667/16679-30-4.webp)
But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1)
TL;DR: But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1) (CAS 16679-30-4) is a chemical compound with molecular formula C25H29NO5S and molecular weight 455.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]piperidine
Also Known As: But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1)
| Molecular Formula | C25H29NO5S |
|---|---|
| Molecular Weight | 455.18 g/mol |
| LogP | 4.596 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.17664 |
| Heavy Atoms | 32 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 16679-30-4 |
|---|---|
| SMILES | C1CCN(CC1)CCOC2C3=CC=CC=C3CSC4=CC=CC=C24.C(=CC(=O)O)C(=O)O |
| InChIKey | RMTRBIRCWRHHKK-UHFFFAOYSA-N |
Product Overview
But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1) (CAS 16679-30-4), with molecular formula C25H29NO5S and molecular weight 455.18 g/mol. IUPAC: but-2-enedioic acid;1-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]piperidine.
Chemical Property Profile of But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1)
Property Insights of But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1)
The XLogP value of 4.596 indicates that But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1). Following Lipinski's Rule of Five, But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1) has 2 hydrogen bond donor(s) and 7 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 But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1)?
The CAS number of But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1) is 16679-30-4.
What is the molecular formula of But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1)?
The molecular formula of But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1) is C25H29NO5S.
What is the molecular weight of But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1)?
The molecular weight of But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1) is 455.18 g/mol.
Where can I buy But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1)?
You can request a quote for But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1)?
Yes, KEHONG BIO provides custom synthesis services for But-2-enedioic acid--1-{2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]ethyl}piperidine (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.