RefChem:1084589
TL;DR: RefChem:1084589 (CAS 64695-77-8) is a chemical compound with molecular formula C29H34N2O7S and molecular weight 554.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)piperazin-1-yl]-1-(4-methylsulfonylphenyl)ethanone
Also Known As: 1-(s-Hydrindacen-4-yl)-4-(4-methylsulfonylphenacyl)piperazine maleate, Ethanone, 2-(4-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1-piperazinyl)-1-(4-methylsulfonyl)phenyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)piperazin-1-yl]-1-(4-methylsulfonylphenyl)ethanone, RefChem:1084589
| Molecular Formula | C29H34N2O7S |
|---|---|
| Molecular Weight | 554.21 g/mol |
| LogP | 2.7842 |
| Topological Polar Surface Area | 132.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 554.2087 |
| Heavy Atoms | 39 |
| Complexity | 1341.4547 |
Chemical Identifiers
| CAS Number | 64695-77-8 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=C4CCCC4=CC5=C3CCC5.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1084589 (CAS 64695-77-8), with molecular formula C29H34N2O7S and molecular weight 554.21 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)piperazin-1-yl]-1-(4-methylsulfonylphenyl)ethanone.
Chemical Property Profile of RefChem:1084589
Property Insights of RefChem:1084589
The XLogP value of 2.7842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084589. The TPSA of 132.29 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084589. Following Lipinski's Rule of Five, RefChem:1084589 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1084589?
The CAS number of RefChem:1084589 is 64695-77-8.
What is the molecular formula of RefChem:1084589?
The molecular formula of RefChem:1084589 is C29H34N2O7S.
What is the molecular weight of RefChem:1084589?
The molecular weight of RefChem:1084589 is 554.21 g/mol.
Where can I buy RefChem:1084589?
You can request a quote for RefChem:1084589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084589?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.