RefChem:1095907
TL;DR: RefChem:1095907 (CAS 54997-66-9) is a chemical compound with molecular formula C27H32N2O4S and molecular weight 480.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(3-butylbenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: 8-(n-Butyl)-10-(4-methylpiperazino)dibenzo(b,f)thiepin maleate, Piperazine, 1-(8-butyldibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(3-butylbenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine, RefChem:1095907
| Molecular Formula | C27H32N2O4S |
|---|---|
| Molecular Weight | 480.21 g/mol |
| LogP | 4.9511 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.20828 |
| Heavy Atoms | 34 |
| Complexity | 1056.0498 |
Chemical Identifiers
| CAS Number | 54997-66-9 |
|---|---|
| SMILES | CCCCC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2N4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095907 (CAS 54997-66-9), with molecular formula C27H32N2O4S and molecular weight 480.21 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-butylbenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of RefChem:1095907
Property Insights of RefChem:1095907
The XLogP value of 4.9511 indicates that RefChem:1095907 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095907. Following Lipinski's Rule of Five, RefChem:1095907 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:1095907?
The CAS number of RefChem:1095907 is 54997-66-9.
What is the molecular formula of RefChem:1095907?
The molecular formula of RefChem:1095907 is C27H32N2O4S.
What is the molecular weight of RefChem:1095907?
The molecular weight of RefChem:1095907 is 480.21 g/mol.
Where can I buy RefChem:1095907?
You can request a quote for RefChem:1095907 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095907?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095907 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.