4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate
TL;DR: 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate (CAS 7253-52-3) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate
Also Known As: 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate, ethyl 4-{[(dicyclopropylmethylidene)amino]oxy}-4-oxobutanoate, Butanoic acid, 4-[[(dicyclopropylmethylene)amino]oxy]-4-oxo-,ethyl ester
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 7253-52-3 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)ON=C(C1CC1)C2CC2 |
| InChIKey | WBPVRRNFQAEPHH-UHFFFAOYSA-N |
Product Overview
4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate (CAS 7253-52-3), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate.
Chemical Property Profile of 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate
Property Insights of 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate. Following Lipinski's Rule of Five, 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate has 0 hydrogen bond donor(s) and 5 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 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate?
The CAS number of 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate is 7253-52-3.
What is the molecular formula of 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate?
The molecular formula of 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate is C13H19NO4.
What is the molecular weight of 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate?
The molecular weight of 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate is 253.13 g/mol.
Where can I buy 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate?
You can request a quote for 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate?
Yes, KEHONG BIO provides custom synthesis services for 4-O-(dicyclopropylmethylideneamino) 1-O-ethyl butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.