RefChem:1056560
TL;DR: RefChem:1056560 (CAS 30196-10-2) is a chemical compound with molecular formula C24H25ClN2O5S and molecular weight 488.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;2-[4-(3-chlorobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
Also Known As: VUFB10.869, 4-(2-Chlorodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate, 1-Piperazineethanol, 4-(2-chlorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1), 2-Chloro-10-(4-(2-hydroxyethyl)piperazino)dibenzo(b,f)thiepin maleate, (Z)-but-2-enedioic acid; 2-[4-(3-chlorobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
| Molecular Formula | C24H25ClN2O5S |
|---|---|
| Molecular Weight | 488.12 g/mol |
| LogP | 3.6244 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.11728 |
| Heavy Atoms | 33 |
| Complexity | 1048.5702 |
Chemical Identifiers
| CAS Number | 30196-10-2 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2=CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C42.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1056560 (CAS 30196-10-2), with molecular formula C24H25ClN2O5S and molecular weight 488.12 g/mol. IUPAC: (Z)-but-2-enedioic acid;2-[4-(3-chlorobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of RefChem:1056560
Property Insights of RefChem:1056560
The XLogP value of 3.6244 indicates that RefChem:1056560 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056560. Following Lipinski's Rule of Five, RefChem:1056560 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:1056560?
The CAS number of RefChem:1056560 is 30196-10-2.
What is the molecular formula of RefChem:1056560?
The molecular formula of RefChem:1056560 is C24H25ClN2O5S.
What is the molecular weight of RefChem:1056560?
The molecular weight of RefChem:1056560 is 488.12 g/mol.
Where can I buy RefChem:1056560?
You can request a quote for RefChem:1056560 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056560?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.