(E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid
TL;DR: (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid (CAS 136015-45-7) is a chemical compound with molecular formula C8H13FN2O4 and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid
Also Known As: 2,6-diamino-2-fluoromethyl-3-heptenedioic acid, (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid, (3E)-2,6-Diamino-2-(fluoromethyl)-3-heptenedioic acid, (3E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid, 3-heptenedioic acid, 2,6-diamino-2-(fluoromethyl)-, (3E)-
| Molecular Formula | C8H13FN2O4 |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | -0.9038 |
| Topological Polar Surface Area | 126.64 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.08594 |
| Heavy Atoms | 15 |
| Complexity | 281.81525 |
Chemical Identifiers
| CAS Number | 136015-45-7 |
|---|---|
| SMILES | C(/C=C/C(CF)(C(=O)O)N)C(C(=O)O)N |
Product Overview
(E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid (CAS 136015-45-7), with molecular formula C8H13FN2O4 and molecular weight 220.09 g/mol. IUPAC: (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid.
Chemical Property Profile of (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid
Property Insights of (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid
The XLogP value of -0.9038 indicates that (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid. Following Lipinski's Rule of Five, (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid has 4 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 (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid?
The CAS number of (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid is 136015-45-7.
What is the molecular formula of (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid?
The molecular formula of (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid is C8H13FN2O4.
What is the molecular weight of (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid?
The molecular weight of (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid is 220.09 g/mol.
Where can I buy (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid?
You can request a quote for (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2,6-diamino-2-(fluoromethyl)hept-3-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.