RefChem:1095892
TL;DR: RefChem:1095892 (CAS 84964-50-1) is a chemical compound with molecular formula C29H30N2O4S and molecular weight 502.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-methyl-4-(11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl)piperazine
Also Known As: 3-(4-Methylpiperazino)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin maleate hydrate, Piperazine, 1-(6,11-dihydro-11-phenyldibenzo(b,e)thiepin-3-yl)-4-methyl-, (Z)-2-butenedioate (1:1), hydrate, (E)-but-2-enedioic acid,1-methyl-4-(11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl)piperazine, (E)-but-2-enedioic acid; 1-methyl-4-(11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl)piperazine, N,N-Diethyl-N'-(5-phenyl-5,11-dihydro-10-thia-dibenzo[a,d]cyclohepten-5-yl)-ethane-1,2-diamine
| Molecular Formula | C29H30N2O4S |
|---|---|
| Molecular Weight | 502.19 g/mol |
| LogP | 4.9361 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.19263 |
| Heavy Atoms | 36 |
| Complexity | 1221.0314 |
Chemical Identifiers
| CAS Number | 84964-50-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=C(C=C2)C(C4=CC=CC=C4CS3)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095892 (CAS 84964-50-1), with molecular formula C29H30N2O4S and molecular weight 502.19 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-4-(11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl)piperazine.
Chemical Property Profile of RefChem:1095892
Property Insights of RefChem:1095892
The XLogP value of 4.9361 indicates that RefChem:1095892 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:1095892. Following Lipinski's Rule of Five, RefChem:1095892 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095892?
The CAS number of RefChem:1095892 is 84964-50-1.
What is the molecular formula of RefChem:1095892?
The molecular formula of RefChem:1095892 is C29H30N2O4S.
What is the molecular weight of RefChem:1095892?
The molecular weight of RefChem:1095892 is 502.19 g/mol.
Where can I buy RefChem:1095892?
You can request a quote for RefChem:1095892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095892?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.