RefChem:1056677
TL;DR: RefChem:1056677 (CAS 41931-75-3) is a chemical compound with molecular formula C25H27ClN2O5S and molecular weight 502.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-[4-(3-chlorobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Also Known As: 4-(8-Chlorodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol maleate, 1-Piperazinepropanol, 4-(8-chlorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1), 8-Chloro-10-(4-(3-hydroxypropyl)piperazino)dibenzo(b,f)thiepin maleate, (E)-but-2-enedioic acid; 3-[4-(3-chlorobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol, RefChem:1056677
| Molecular Formula | C25H27ClN2O5S |
|---|---|
| Molecular Weight | 502.13 g/mol |
| LogP | 4.0145 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.13293 |
| Heavy Atoms | 34 |
| Complexity | 1064.7257 |
Chemical Identifiers
| CAS Number | 41931-75-3 |
|---|---|
| SMILES | C1CN(CCN1CCCO)C2=CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056677 (CAS 41931-75-3), with molecular formula C25H27ClN2O5S and molecular weight 502.13 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[4-(3-chlorobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol.
Chemical Property Profile of RefChem:1056677
Property Insights of RefChem:1056677
The XLogP value of 4.0145 indicates that RefChem:1056677 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:1056677. Following Lipinski's Rule of Five, RefChem:1056677 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056677?
The CAS number of RefChem:1056677 is 41931-75-3.
What is the molecular formula of RefChem:1056677?
The molecular formula of RefChem:1056677 is C25H27ClN2O5S.
What is the molecular weight of RefChem:1056677?
The molecular weight of RefChem:1056677 is 502.13 g/mol.
Where can I buy RefChem:1056677?
You can request a quote for RefChem:1056677 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056677?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056677 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.