VUFB10,053
TL;DR: VUFB10,053 (CAS 61015-57-4) is a chemical compound with molecular formula C21H28Cl2N2O2S2 and molecular weight 474.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;dihydrochloride
Also Known As: VUFB10,053, 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1), 2-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol dihydrochloride, 2-{4-[8-(Methanesulfinyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}ethan-1-ol--hydrogen chloride (1/2)
| Molecular Formula | C21H28Cl2N2O2S2 |
|---|---|
| Molecular Weight | 474.10 g/mol |
| LogP | 3.6259 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.09692 |
| Heavy Atoms | 29 |
| Complexity | 845.18085 |
Chemical Identifiers
| CAS Number | 61015-57-4 |
|---|---|
| SMILES | CS(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCO.Cl.Cl |
Product Overview
VUFB10,053 (CAS 61015-57-4), with molecular formula C21H28Cl2N2O2S2 and molecular weight 474.10 g/mol. IUPAC: 2-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;dihydrochloride.
Chemical Property Profile of VUFB10,053
Property Insights of VUFB10,053
The XLogP value of 3.6259 indicates that VUFB10,053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.78 Ų, VUFB10,053 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VUFB10,053 has 1 hydrogen bond donor(s) and 5 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 VUFB10,053?
The CAS number of VUFB10,053 is 61015-57-4.
What is the molecular formula of VUFB10,053?
The molecular formula of VUFB10,053 is C21H28Cl2N2O2S2.
What is the molecular weight of VUFB10,053?
The molecular weight of VUFB10,053 is 474.10 g/mol.
Where can I buy VUFB10,053?
You can request a quote for VUFB10,053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VUFB10,053?
Yes, KEHONG BIO provides custom synthesis services for VUFB10,053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.