VUFB10,045
TL;DR: VUFB10,045 (CAS 61015-56-3) is a chemical compound with molecular formula C23H34N2O7S4 and molecular weight 578.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;2-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
Also Known As: VUFB10,045, 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate, Methanesulfonic acid--2-{4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}ethan-1-ol (2/1), methanesulfonic acid; 2-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
| Molecular Formula | C23H34N2O7S4 |
|---|---|
| Molecular Weight | 578.12 g/mol |
| LogP | 2.7748 |
| Topological Polar Surface Area | 135.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 578.1249 |
| Heavy Atoms | 36 |
| Complexity | 1152.693 |
Chemical Identifiers
| CAS Number | 61015-56-3 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCO.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
VUFB10,045 (CAS 61015-56-3), with molecular formula C23H34N2O7S4 and molecular weight 578.12 g/mol. IUPAC: methanesulfonic acid;2-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of VUFB10,045
Property Insights of VUFB10,045
The XLogP value of 2.7748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VUFB10,045. The TPSA of 135.45 Ų falls within the moderate polarity range, balancing permeability and solubility for VUFB10,045. Following Lipinski's Rule of Five, VUFB10,045 has 3 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 VUFB10,045?
The CAS number of VUFB10,045 is 61015-56-3.
What is the molecular formula of VUFB10,045?
The molecular formula of VUFB10,045 is C23H34N2O7S4.
What is the molecular weight of VUFB10,045?
The molecular weight of VUFB10,045 is 578.12 g/mol.
Where can I buy VUFB10,045?
You can request a quote for VUFB10,045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VUFB10,045?
Yes, KEHONG BIO provides custom synthesis services for VUFB10,045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.