Noroxyclothepin methanesulfonate
TL;DR: Noroxyclothepin methanesulfonate (CAS 41931-70-8) is a chemical compound with molecular formula C21H27ClN2O4S2 and molecular weight 470.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;methanesulfonic acid
Also Known As: Noroxyclothepin methanesulfonate, VUFB9,501, 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol methanesulfonate, 1-Piperazineethanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate, 1-Piperazineethanol, 4-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-, monomethanesulfonate (salt)
| Molecular Formula | C21H27ClN2O4S2 |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 3.2023 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.11008 |
| Heavy Atoms | 30 |
| Complexity | 955.22876 |
Chemical Identifiers
| CAS Number | 41931-70-8 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CN(CCN1CCO)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl |
Product Overview
Noroxyclothepin methanesulfonate (CAS 41931-70-8), with molecular formula C21H27ClN2O4S2 and molecular weight 470.11 g/mol. IUPAC: 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;methanesulfonic acid.
Chemical Property Profile of Noroxyclothepin methanesulfonate
Property Insights of Noroxyclothepin methanesulfonate
The XLogP value of 3.2023 indicates that Noroxyclothepin methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Noroxyclothepin methanesulfonate. Following Lipinski's Rule of Five, Noroxyclothepin methanesulfonate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Noroxyclothepin methanesulfonate?
The CAS number of Noroxyclothepin methanesulfonate is 41931-70-8.
What is the molecular formula of Noroxyclothepin methanesulfonate?
The molecular formula of Noroxyclothepin methanesulfonate is C21H27ClN2O4S2.
What is the molecular weight of Noroxyclothepin methanesulfonate?
The molecular weight of Noroxyclothepin methanesulfonate is 470.11 g/mol.
Where can I buy Noroxyclothepin methanesulfonate?
You can request a quote for Noroxyclothepin methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Noroxyclothepin methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Noroxyclothepin methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.