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Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate
TL;DR: Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate (CAS 477890-06-5) is a chemical compound with molecular formula C17H23NO6 and molecular weight 337.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate
Also Known As: dimethyl 2-{(E)-1-[(3,4-dimethoxybenzyl)amino]ethylidene}succinate, Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate, 1,4-DIMETHYL 2-(1-{[(3,4-DIMETHOXYPHENYL)METHYL]AMINO}ETHYLIDENE)BUTANEDIOATE
| Molecular Formula | C17H23NO6 |
|---|---|
| Molecular Weight | 337.15 g/mol |
| LogP | 1.8035 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.15253 |
| Heavy Atoms | 24 |
| Complexity | 623.50684 |
Chemical Identifiers
| CAS Number | 477890-06-5 |
|---|---|
| SMILES | CC(=C(CC(=O)OC)C(=O)OC)NCC1=CC(=C(C=C1)OC)OC |
Product Overview
Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate (CAS 477890-06-5), with molecular formula C17H23NO6 and molecular weight 337.15 g/mol. IUPAC: dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate.
Chemical Property Profile of Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate
Property Insights of Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate
The XLogP value of 1.8035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate. Following Lipinski's Rule of Five, Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate has 1 hydrogen bond donor(s) and 7 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 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate?
The CAS number of Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate is 477890-06-5.
What is the molecular formula of Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate?
The molecular formula of Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate is C17H23NO6.
What is the molecular weight of Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate?
The molecular weight of Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate is 337.15 g/mol.
Where can I buy Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate?
You can request a quote for Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[1-[(3,4-dimethoxyphenyl)methylamino]ethylidene]butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.