Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate
TL;DR: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate (CAS 55195-36-3) is a chemical compound with molecular formula C25H30ClN3O6S3 and molecular weight 599.10 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-pyridin-2-ylpiperazine;methanesulfonic acid
Also Known As: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate, 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-2-ylpiperazine; methanesulfonic acid, Methanesulfonic acid--1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-(pyridin-2-yl)piperazine (2/1), RefChem:372442
| Molecular Formula | C25H30ClN3O6S3 |
|---|---|
| Molecular Weight | 599.10 g/mol |
| LogP | 4.3136 |
| Topological Polar Surface Area | 128.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 599.0985 |
| Heavy Atoms | 38 |
| Complexity | 1385.7075 |
Chemical Identifiers
| CAS Number | 55195-36-3 |
|---|---|
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5=CC=CC=N5 |
Product Overview
Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate (CAS 55195-36-3), with molecular formula C25H30ClN3O6S3 and molecular weight 599.10 g/mol. IUPAC: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-pyridin-2-ylpiperazine;methanesulfonic acid.
Chemical Property Profile of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate
Property Insights of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate
The XLogP value of 4.3136 indicates that Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate. Following Lipinski's Rule of Five, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate has 2 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 Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate?
The CAS number of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate is 55195-36-3.
What is the molecular formula of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate?
The molecular formula of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate is C25H30ClN3O6S3.
What is the molecular weight of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate?
The molecular weight of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate is 599.10 g/mol.
Where can I buy Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate?
You can request a quote for Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-pyridinyl)-, dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.