dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate
TL;DR: dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate (CAS 709003-28-1) is a chemical compound with molecular formula C20H27N3O7 and molecular weight 421.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanoyl]amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate, dimethyl 5-{[4-methoxy-2-(4-methyl-1-piperazinyl)-4-oxobutanoyl]amino}isophthalate, dimethyl 5-[[4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanoyl]amino]benzene-1,3-dicarboxylate, dimethyl 5-{[4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanoyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C20H27N3O7 |
|---|---|
| Molecular Weight | 421.18 g/mol |
| LogP | 0.3774 |
| Topological Polar Surface Area | 114.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.1849 |
| Heavy Atoms | 30 |
| Complexity | 769.3399 |
Chemical Identifiers
| CAS Number | 709003-28-1 |
|---|---|
| SMILES | CN1CCN(CC1)C(CC(=O)OC)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate (CAS 709003-28-1), with molecular formula C20H27N3O7 and molecular weight 421.18 g/mol. IUPAC: dimethyl 5-[[4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanoyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate
Property Insights of dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate
The XLogP value of 0.3774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate. The TPSA of 114.48 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate. Following Lipinski's Rule of Five, dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate has 1 hydrogen bond donor(s) and 9 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 dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate?
The CAS number of dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate is 709003-28-1.
What is the molecular formula of dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate?
The molecular formula of dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate is C20H27N3O7.
What is the molecular weight of dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate?
The molecular weight of dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate is 421.18 g/mol.
Where can I buy dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate?
You can request a quote for dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-(4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanamido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.