(3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid
TL;DR: (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid (CAS 845959-50-4) is a chemical compound with molecular formula C8H16NO5P and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-amino-4-(phosphonomethyl)hept-3-enoic acid
Also Known As: Cgp 39653, Mitoquinone mesylate, (E)-2-amino-4-(phosphonomethyl)hept-3-enoic acid, trifluoromethylpyridinecarbaldehyde, 2-Amino-4-propyl-5-phosphono-3-pentenoic acid
| Molecular Formula | C8H16NO5P |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 0.3025 |
| Topological Polar Surface Area | 120.85 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.07661 |
| Heavy Atoms | 15 |
| Complexity | 295.40717 |
Chemical Identifiers
| CAS Number | 845959-50-4 |
|---|---|
| SMILES | CCC/C(=C\C(C(=O)O)N)/CP(=O)(O)O |
Product Overview
(3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid (CAS 845959-50-4), with molecular formula C8H16NO5P and molecular weight 237.08 g/mol. IUPAC: (E)-2-amino-4-(phosphonomethyl)hept-3-enoic acid.
Chemical Property Profile of (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid
Property Insights of (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid
The XLogP value of 0.3025 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid. The TPSA of 120.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid. Following Lipinski's Rule of Five, (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid has 4 hydrogen bond donor(s) and 3 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 (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid?
The CAS number of (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid is 845959-50-4.
What is the molecular formula of (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid?
The molecular formula of (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid is C8H16NO5P.
What is the molecular weight of (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid?
The molecular weight of (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid is 237.08 g/mol.
Where can I buy (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid?
You can request a quote for (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3E)-2-Amino-4-(phosphonomethyl)-3-heptenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.