RefChem:1078344
TL;DR: RefChem:1078344 (CAS 86490-12-2) is a chemical compound with molecular formula C34H38N2O7S2 and molecular weight 650.21 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-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl 2-hydroxy-2-phenylacetate
Also Known As: 11-(4-(3-Mandeloyloxypropyl)piperazino)-2-methylthio-10,11-dihydrodibenzo(b,f)thiepin maleate, Benzeneacetic acid, alpha-hydroxy-, 3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl ester, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl 2-hydroxy-2-phenylacetate, RefChem:1078344
| Molecular Formula | C34H38N2O7S2 |
|---|---|
| Molecular Weight | 650.21 g/mol |
| LogP | 5.1532 |
| Topological Polar Surface Area | 127.61 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 650.21204 |
| Heavy Atoms | 45 |
| Complexity | 1460.378 |
Chemical Identifiers
| CAS Number | 86490-12-2 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCOC(=O)C(C5=CC=CC=C5)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1078344 (CAS 86490-12-2), with molecular formula C34H38N2O7S2 and molecular weight 650.21 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl 2-hydroxy-2-phenylacetate.
Chemical Property Profile of RefChem:1078344
Property Insights of RefChem:1078344
The XLogP value of 5.1532 indicates that RefChem:1078344 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.61 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078344. Following Lipinski's Rule of Five, RefChem:1078344 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1078344?
The CAS number of RefChem:1078344 is 86490-12-2.
What is the molecular formula of RefChem:1078344?
The molecular formula of RefChem:1078344 is C34H38N2O7S2.
What is the molecular weight of RefChem:1078344?
The molecular weight of RefChem:1078344 is 650.21 g/mol.
Where can I buy RefChem:1078344?
You can request a quote for RefChem:1078344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078344?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.