RefChem:372441
TL;DR: RefChem:372441 (CAS 59698-65-6) is a chemical compound with molecular formula C28H35ClN2O6S3 and molecular weight 626.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-phenylethyl)piperazine;methanesulfonic acid
Also Known As: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenylethyl)-, dimethanesulfonate, 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenethylpiperazine; methanesulfonic acid, Methanesulfonic acid--1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-(2-phenylethyl)piperazine (2/1), RefChem:372441
| Molecular Formula | C28H35ClN2O6S3 |
|---|---|
| Molecular Weight | 626.13 g/mol |
| LogP | 4.9567 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 626.1346 |
| Heavy Atoms | 40 |
| Complexity | 1416.3701 |
Chemical Identifiers
| CAS Number | 59698-65-6 |
|---|---|
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl |
Product Overview
RefChem:372441 (CAS 59698-65-6), with molecular formula C28H35ClN2O6S3 and molecular weight 626.13 g/mol. IUPAC: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-phenylethyl)piperazine;methanesulfonic acid.
Chemical Property Profile of RefChem:372441
Property Insights of RefChem:372441
The XLogP value of 4.9567 indicates that RefChem:372441 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.22 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:372441. Following Lipinski's Rule of Five, RefChem:372441 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:372441?
The CAS number of RefChem:372441 is 59698-65-6.
What is the molecular formula of RefChem:372441?
The molecular formula of RefChem:372441 is C28H35ClN2O6S3.
What is the molecular weight of RefChem:372441?
The molecular weight of RefChem:372441 is 626.13 g/mol.
Where can I buy RefChem:372441?
You can request a quote for RefChem:372441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372441?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.