RefChem:1056467
TL;DR: RefChem:1056467 (CAS 86499-16-3) is a chemical compound with molecular formula C31H37ClN2O9S and molecular weight 648.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);4-[4-(3-chloro-7-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-1-ol
Also Known As: 2-Chloro-11-(4-(4-hydroxypentyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin bis(maleate), 1-Piperazinebutanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-alpha-methyl-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 4-[4-(3-chloro-7-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-1-ol, RefChem:1056467
| Molecular Formula | C31H37ClN2O9S |
|---|---|
| Molecular Weight | 648.19 g/mol |
| LogP | 4.21052 |
| Topological Polar Surface Area | 175.91 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 648.19086 |
| Heavy Atoms | 44 |
| Complexity | 1291.6494 |
Chemical Identifiers
| CAS Number | 86499-16-3 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)SC3=C(C(C2)N4CCN(CC4)CCCCO)C=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056467 (CAS 86499-16-3), with molecular formula C31H37ClN2O9S and molecular weight 648.19 g/mol. IUPAC: bis((E)-but-2-enedioic acid);4-[4-(3-chloro-7-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-1-ol.
Chemical Property Profile of RefChem:1056467
Property Insights of RefChem:1056467
The XLogP value of 4.21052 indicates that RefChem:1056467 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.91 Ų indicates high polarity, suggesting RefChem:1056467 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056467 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056467?
The CAS number of RefChem:1056467 is 86499-16-3.
What is the molecular formula of RefChem:1056467?
The molecular formula of RefChem:1056467 is C31H37ClN2O9S.
What is the molecular weight of RefChem:1056467?
The molecular weight of RefChem:1056467 is 648.19 g/mol.
Where can I buy RefChem:1056467?
You can request a quote for RefChem:1056467 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056467?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056467 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.