VUFB9,987
TL;DR: VUFB9,987 (CAS 61015-65-4) is a chemical compound with molecular formula C26H32N2O6S2 and molecular weight 532.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propane-1,2-diol
Also Known As: VUFB9,987, 1,2-Propanediol, 3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propane-1,2-diol
| Molecular Formula | C26H32N2O6S2 |
|---|---|
| Molecular Weight | 532.17 g/mol |
| LogP | 2.8395 |
| Topological Polar Surface Area | 121.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.17017 |
| Heavy Atoms | 36 |
| Complexity | 1056.15 |
Chemical Identifiers
| CAS Number | 61015-65-4 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CC(CO)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
VUFB9,987 (CAS 61015-65-4), with molecular formula C26H32N2O6S2 and molecular weight 532.17 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propane-1,2-diol.
Chemical Property Profile of VUFB9,987
Property Insights of VUFB9,987
The XLogP value of 2.8395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VUFB9,987. The TPSA of 121.54 Ų falls within the moderate polarity range, balancing permeability and solubility for VUFB9,987. Following Lipinski's Rule of Five, VUFB9,987 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VUFB9,987?
The CAS number of VUFB9,987 is 61015-65-4.
What is the molecular formula of VUFB9,987?
The molecular formula of VUFB9,987 is C26H32N2O6S2.
What is the molecular weight of VUFB9,987?
The molecular weight of VUFB9,987 is 532.17 g/mol.
Where can I buy VUFB9,987?
You can request a quote for VUFB9,987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VUFB9,987?
Yes, KEHONG BIO provides custom synthesis services for VUFB9,987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.