2H-氮杂环丙烯
TL;DR: 2H-氮杂环丙烯 (CAS 157-16-4) is a chemical compound with molecular formula C8H10Cl2O4 and molecular weight 240.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-氮杂环丙烯
diethyl (E)-2,3-dichlorobut-2-enedioate
Also Known As: diethyl 2,3-dichlorobut-2-enedioate, diethyl (E)-2,3-dichlorobut-2-enedioate
| Molecular Formula | C8H10Cl2O4 |
|---|---|
| Molecular Weight | 240.00 g/mol |
| LogP | 1.8018 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.99562 |
| Heavy Atoms | 14 |
| Complexity | 234.0669 |
Chemical Identifiers
| CAS Number | 157-16-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C(/C(=O)OCC)\Cl)/Cl |
Product Overview
2H-氮杂环丙烯 (CAS 157-16-4), with molecular formula C8H10Cl2O4 and molecular weight 240.00 g/mol. IUPAC: diethyl (E)-2,3-dichlorobut-2-enedioate.
Chemical Property Profile of 2H-氮杂环丙烯
Property Insights of 2H-氮杂环丙烯
The XLogP value of 1.8018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-氮杂环丙烯. With a topological polar surface area (TPSA) of 52.6 Ų, 2H-氮杂环丙烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-氮杂环丙烯 has 0 hydrogen bond donor(s) and 4 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 2H-氮杂环丙烯?
The CAS number of 2H-氮杂环丙烯 is 157-16-4.
What is the molecular formula of 2H-氮杂环丙烯?
The molecular formula of 2H-氮杂环丙烯 is C8H10Cl2O4.
What is the molecular weight of 2H-氮杂环丙烯?
The molecular weight of 2H-氮杂环丙烯 is 240.00 g/mol.
Where can I buy 2H-氮杂环丙烯?
You can request a quote for 2H-氮杂环丙烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-氮杂环丙烯?
Yes, KEHONG BIO provides custom synthesis services for 2H-氮杂环丙烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.