RefChem:1056675
TL;DR: RefChem:1056675 (CAS 35780-44-0) is a chemical compound with molecular formula C26H31ClN2O5S and molecular weight 518.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;(E)-2-methylbut-2-enedioic acid
Also Known As: 8-Chloro-10-(4-(3-hydroxybutyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate, 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-alpha-methyl-, (Z)-2-butenedioate (1:1), 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-alpha-methyl-1-piperazinepropanol maleate, 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol; (E)-2-methylbut-2-enedioic acid, RefChem:1056675
| Molecular Formula | C26H31ClN2O5S |
|---|---|
| Molecular Weight | 518.16 g/mol |
| LogP | 4.1903 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.16425 |
| Heavy Atoms | 35 |
| Complexity | 1069.4578 |
Chemical Identifiers
| CAS Number | 35780-44-0 |
|---|---|
| SMILES | C/C(=C\C(=O)O)/C(=O)O.C1CN(CCN1CCCO)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl |
Product Overview
RefChem:1056675 (CAS 35780-44-0), with molecular formula C26H31ClN2O5S and molecular weight 518.16 g/mol. IUPAC: 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;(E)-2-methylbut-2-enedioic acid.
Chemical Property Profile of RefChem:1056675
Property Insights of RefChem:1056675
The XLogP value of 4.1903 indicates that RefChem:1056675 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:1056675. Following Lipinski's Rule of Five, RefChem:1056675 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:1056675?
The CAS number of RefChem:1056675 is 35780-44-0.
What is the molecular formula of RefChem:1056675?
The molecular formula of RefChem:1056675 is C26H31ClN2O5S.
What is the molecular weight of RefChem:1056675?
The molecular weight of RefChem:1056675 is 518.16 g/mol.
Where can I buy RefChem:1056675?
You can request a quote for RefChem:1056675 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056675?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056675 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.