VUFB10,046
TL;DR: VUFB10,046 (CAS 61015-80-3) is a chemical compound with molecular formula C20H25Cl3N2O2S and molecular weight 462.07 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)-1-oxidopiperazin-1-ium-1-yl]ethanol;dihydrochloride
Also Known As: VUFB10,046, C20H23ClN2O2S.2ClH.1/2H2O, C20-H23-Cl-N2-O2-S.2Cl-H.1/2H2-O, 1-Piperazineethanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (2:4:1), 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol dihydrochloride
| Molecular Formula | C20H25Cl3N2O2S |
|---|---|
| Molecular Weight | 462.07 g/mol |
| LogP | 4.5545 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.07022 |
| Heavy Atoms | 28 |
| Complexity | 800.7703 |
Chemical Identifiers
| CAS Number | 61015-80-3 |
|---|---|
| SMILES | C1C[N+](CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)(CCO)[O-].Cl.Cl |
Product Overview
VUFB10,046 (CAS 61015-80-3), with molecular formula C20H25Cl3N2O2S and molecular weight 462.07 g/mol. IUPAC: 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol;dihydrochloride.
Chemical Property Profile of VUFB10,046
Property Insights of VUFB10,046
The XLogP value of 4.5545 indicates that VUFB10,046 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, VUFB10,046 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VUFB10,046 has 1 hydrogen bond donor(s) and 4 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 VUFB10,046?
The CAS number of VUFB10,046 is 61015-80-3.
What is the molecular formula of VUFB10,046?
The molecular formula of VUFB10,046 is C20H25Cl3N2O2S.
What is the molecular weight of VUFB10,046?
The molecular weight of VUFB10,046 is 462.07 g/mol.
Where can I buy VUFB10,046?
You can request a quote for VUFB10,046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VUFB10,046?
Yes, KEHONG BIO provides custom synthesis services for VUFB10,046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.