RefChem:1097041
TL;DR: RefChem:1097041 (CAS 31759-07-6) is a chemical compound with molecular formula C23H24ClNO5S and molecular weight 461.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylpropan-1-amine
Also Known As: 8-Chloro-10-(3-dimethylaminopropoxy)dibenzo(b,f)thiepin hydrogen maleate, Propylamine, 3-((8-chlorodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethyl-, maleate (1:1), 3-((8-Chlorodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethylpropylamine maleate, (E)-but-2-enedioic acid; 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylpropan-1-amine, RefChem:1097041
| Molecular Formula | C23H24ClNO5S |
|---|---|
| Molecular Weight | 461.11 g/mol |
| LogP | 4.9828 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.10638 |
| Heavy Atoms | 31 |
| Complexity | 971.6822 |
Chemical Identifiers
| CAS Number | 31759-07-6 |
|---|---|
| SMILES | CN(C)CCCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097041 (CAS 31759-07-6), with molecular formula C23H24ClNO5S and molecular weight 461.11 g/mol. IUPAC: (E)-but-2-enedioic acid;3-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylpropan-1-amine.
Chemical Property Profile of RefChem:1097041
Property Insights of RefChem:1097041
The XLogP value of 4.9828 indicates that RefChem:1097041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097041. Following Lipinski's Rule of Five, RefChem:1097041 has 2 hydrogen bond donor(s) and 5 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:1097041?
The CAS number of RefChem:1097041 is 31759-07-6.
What is the molecular formula of RefChem:1097041?
The molecular formula of RefChem:1097041 is C23H24ClNO5S.
What is the molecular weight of RefChem:1097041?
The molecular weight of RefChem:1097041 is 461.11 g/mol.
Where can I buy RefChem:1097041?
You can request a quote for RefChem:1097041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097041?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.