RefChem:377886
TL;DR: RefChem:377886 (CAS 51723-65-0) is a chemical compound with molecular formula C25H37N3O8S4 and molecular weight 635.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;1-methyl-4-(3-pyrrolidin-1-ylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: Pyrrolidine, 1-((10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)sulfonyl)-, methanesulfonate, hydrate (1:2:1), Methanesulfonic acid--1-methyl-4-[8-(pyrrolidine-1-sulfonyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine (2/1), methanesulfonic acid; 1-methyl-4-(3-pyrrolidin-1-ylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine, RefChem:377886
| Molecular Formula | C25H37N3O8S4 |
|---|---|
| Molecular Weight | 635.15 g/mol |
| LogP | 2.4749 |
| Topological Polar Surface Area | 152.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 635.14636 |
| Heavy Atoms | 40 |
| Complexity | 1437.6576 |
Chemical Identifiers
| CAS Number | 51723-65-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N5CCCC5.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
RefChem:377886 (CAS 51723-65-0), with molecular formula C25H37N3O8S4 and molecular weight 635.15 g/mol. IUPAC: methanesulfonic acid;1-methyl-4-(3-pyrrolidin-1-ylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of RefChem:377886
Property Insights of RefChem:377886
The XLogP value of 2.4749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:377886. The TPSA of 152.6 Ų indicates high polarity, suggesting RefChem:377886 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:377886 has 2 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:377886?
The CAS number of RefChem:377886 is 51723-65-0.
What is the molecular formula of RefChem:377886?
The molecular formula of RefChem:377886 is C25H37N3O8S4.
What is the molecular weight of RefChem:377886?
The molecular weight of RefChem:377886 is 635.15 g/mol.
Where can I buy RefChem:377886?
You can request a quote for RefChem:377886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377886?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.