![2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯 structure](/static/products/1739/17394-77-3.webp)
2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯
TL;DR: 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯 (CAS 17394-77-3) is a chemical compound with molecular formula C15H17NO6 and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯
diethyl 2-[(1,3-benzodioxol-5-ylamino)methylidene]propanedioate
Also Known As: Diethyl 3,4-methylenedioxyphenylaminomethylenemalonate, Propanedioic acid, [(1,3-benzodioxol-5-ylamino)methylene]-, diethyl ester, Diethyl 2-[(1,3-benzodioxol-5-ylamino)methylene]malonate, diethyl 2-[(1,3-benzodioxol-5-ylamino)methylidene]propanedioate, BIM-0045294.P001
| Molecular Formula | C15H17NO6 |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 307.1056 |
| Heavy Atoms | 22 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 17394-77-3 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC2=C(C=C1)OCO2)C(=O)OCC |
| InChIKey | XQBHPGINZRUJMP-UHFFFAOYSA-N |
Product Overview
2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯 (CAS 17394-77-3), with molecular formula C15H17NO6 and molecular weight 307.11 g/mol. IUPAC: diethyl 2-[(1,3-benzodioxol-5-ylamino)methylidene]propanedioate.
Chemical Property Profile of 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯
Property Insights of 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯
The XLogP value of 3.1 indicates that 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯. Following Lipinski's Rule of Five, 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯 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 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯?
The CAS number of 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯 is 17394-77-3.
What is the molecular formula of 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯?
The molecular formula of 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯 is C15H17NO6.
What is the molecular weight of 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯?
The molecular weight of 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯 is 307.11 g/mol.
Where can I buy 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯?
You can request a quote for 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-苯并二氧杂环戊烯-5-基氨基)亚甲基]丙二酸1,3-二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.