methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate
TL;DR: methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate (CAS 895907-33-2) is a chemical compound with molecular formula C15H21Cl2NO5 and molecular weight 365.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2,4-dichloro-5,5-dimethoxy-3-oxo-4-prop-2-enylcyclopenten-1-yl)amino]butanoate
Also Known As: methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate, Methyl 4-[(2,4-dichloro-5,5-dimethoxy-3-oxo-4-prop-2-enyl-1-cyclopentenyl)amino]butanoate, methyl 4-[(2,4-dichloro-5,5-dimethoxy-3-oxo-4-prop-2-enylcyclopenten-1-yl)amino]butanoate, METHYL 4-{[2,4-DICHLORO-5,5-DIMETHOXY-3-OXO-4-(PROP-2-EN-1-YL)CYCLOPENT-1-EN-1-YL]AMINO}BUTANOATE
| Molecular Formula | C15H21Cl2NO5 |
|---|---|
| Molecular Weight | 365.08 g/mol |
| LogP | 2.1051 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 365.07968 |
| Heavy Atoms | 23 |
| Complexity | 515.99664 |
Chemical Identifiers
| CAS Number | 895907-33-2 |
|---|---|
| SMILES | COC(=O)CCCNC1=C(C(=O)C(C1(OC)OC)(CC=C)Cl)Cl |
Product Overview
methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate (CAS 895907-33-2), with molecular formula C15H21Cl2NO5 and molecular weight 365.08 g/mol. IUPAC: methyl 4-[(2,4-dichloro-5,5-dimethoxy-3-oxo-4-prop-2-enylcyclopenten-1-yl)amino]butanoate.
Chemical Property Profile of methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate
Property Insights of methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate
The XLogP value of 2.1051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate. Following Lipinski's Rule of Five, methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate has 1 hydrogen bond donor(s) and 6 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 methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate?
The CAS number of methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate is 895907-33-2.
What is the molecular formula of methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate?
The molecular formula of methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate is C15H21Cl2NO5.
What is the molecular weight of methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate?
The molecular weight of methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate is 365.08 g/mol.
Where can I buy methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate?
You can request a quote for methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-((4-allyl-2,4-dichloro-5,5-dimethoxy-3-oxocyclopent-1-en-1-yl)amino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.