KB 5492
TL;DR: KB 5492 (CAS 129200-10-8) is a chemical compound with molecular formula C27H34N2O10 and molecular weight 546.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;(4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetate
Also Known As: KB 5492, 1-Piperazineacetic acid, 4-((3,4,5-trimethoxyphenyl)methyl)-, 4-methoxyphenyl ester, (E)-2-butenedioate (1:1), 1-(3,4,5-Trimethoxybenzyl)-4-((4-methoxyphenyl)oxycarbonylmethyl)piperazine, 4-methoxyphenyl 2-{4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}acetate; fumaric acid, 4-Methoxyphenyl 4-((3,4,5-trimethoxyphenyl)methyl)-1-piperazineacetate (E)-2-butenedioate (1:1)
| Molecular Formula | C27H34N2O10 |
|---|---|
| Molecular Weight | 546.22 g/mol |
| LogP | 2.156 |
| Topological Polar Surface Area | 144.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 546.2214 |
| Heavy Atoms | 39 |
| Complexity | 1084.8828 |
Chemical Identifiers
| CAS Number | 129200-10-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)CN2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC.C(=CC(=O)O)C(=O)O |
Product Overview
KB 5492 (CAS 129200-10-8), with molecular formula C27H34N2O10 and molecular weight 546.22 g/mol. IUPAC: but-2-enedioic acid;(4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetate.
Chemical Property Profile of KB 5492
Property Insights of KB 5492
The XLogP value of 2.156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KB 5492. The TPSA of 144.3 Ų indicates high polarity, suggesting KB 5492 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KB 5492 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KB 5492?
The CAS number of KB 5492 is 129200-10-8.
What is the molecular formula of KB 5492?
The molecular formula of KB 5492 is C27H34N2O10.
What is the molecular weight of KB 5492?
The molecular weight of KB 5492 is 546.22 g/mol.
Where can I buy KB 5492?
You can request a quote for KB 5492 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KB 5492?
Yes, KEHONG BIO provides custom synthesis services for KB 5492 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.