RefChem:1056545
TL;DR: RefChem:1056545 (CAS 73129-41-6) is a chemical compound with molecular formula C24H27FN2O5S and molecular weight 474.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[4-(1-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
Also Known As: 4-(10,11-Dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate, 1-Piperazineethanol, 4-(10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate, (E)-but-2-enedioic acid; 2-[4-(1-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol, RefChem:1056545
| Molecular Formula | C24H27FN2O5S |
|---|---|
| Molecular Weight | 474.16 g/mol |
| LogP | 2.8958 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.16248 |
| Heavy Atoms | 33 |
| Complexity | 992.0991 |
Chemical Identifiers
| CAS Number | 73129-41-6 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2CC3=CC=CC=C3SC4=C2C=CC=C4F.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056545 (CAS 73129-41-6), with molecular formula C24H27FN2O5S and molecular weight 474.16 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-(1-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of RefChem:1056545
Property Insights of RefChem:1056545
The XLogP value of 2.8958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056545. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056545. Following Lipinski's Rule of Five, RefChem:1056545 has 3 hydrogen bond donor(s) and 6 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:1056545?
The CAS number of RefChem:1056545 is 73129-41-6.
What is the molecular formula of RefChem:1056545?
The molecular formula of RefChem:1056545 is C24H27FN2O5S.
What is the molecular weight of RefChem:1056545?
The molecular weight of RefChem:1056545 is 474.16 g/mol.
Where can I buy RefChem:1056545?
You can request a quote for RefChem:1056545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056545?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.