16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4
TL;DR: 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4 (CAS 114115-52-5) is a chemical compound with molecular formula C21H31NO8S and molecular weight 457.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z,7E,9E,11R,12S)-11-(2-acetamido-2-carboxyethyl)sulfanyl-12-hydroxyhexadeca-5,7,9-trienedioic acid
Also Known As: Ctda-lte4, 16-Carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetyl-lte4, 16-Carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4, (5Z,7E,9E,11R,12S)-11-(2-acetamido-2-carboxyethyl)sulfanyl-12-hydroxyhexadeca-5,7,9-trienedioic acid, (5Z,7E,9E,11R,12S)-11-(2-acetamido-3-hydroxy-3-oxopropyl)sulfanyl-12-hydroxyhexadeca-5,7,9-trienedioic acid
| Molecular Formula | C21H31NO8S |
|---|---|
| Molecular Weight | 457.18 g/mol |
| LogP | 2.2168 |
| Topological Polar Surface Area | 161.23 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 457.17703 |
| Heavy Atoms | 31 |
| Complexity | 674.2909 |
Chemical Identifiers
| CAS Number | 114115-52-5 |
|---|---|
| SMILES | CC(=O)NC(CS[C@H](/C=C/C=C/C=C\CCCC(=O)O)[C@H](CCCC(=O)O)O)C(=O)O |
Product Overview
16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4 (CAS 114115-52-5), with molecular formula C21H31NO8S and molecular weight 457.18 g/mol. IUPAC: (5Z,7E,9E,11R,12S)-11-(2-acetamido-2-carboxyethyl)sulfanyl-12-hydroxyhexadeca-5,7,9-trienedioic acid.
Chemical Property Profile of 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4
Property Insights of 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4
The XLogP value of 2.2168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4. The TPSA of 161.23 Ų indicates high polarity, suggesting 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4 has 5 hydrogen bond donor(s) and 6 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 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4?
The CAS number of 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4 is 114115-52-5.
What is the molecular formula of 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4?
The molecular formula of 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4 is C21H31NO8S.
What is the molecular weight of 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4?
The molecular weight of 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4 is 457.18 g/mol.
Where can I buy 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4?
You can request a quote for 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4?
Yes, KEHONG BIO provides custom synthesis services for 16-carboxy-17,18,19,20-tetranor-14,15-dihydro-N-acetylleukotriene E4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.