N-Acetylleukotriene D4
TL;DR: N-Acetylleukotriene D4 (CAS 80115-94-2) is a chemical compound with molecular formula C27H42N2O7S and molecular weight 538.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-acetamido-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Also Known As: N-Acetylleukotriene D4, (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-acetamido-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid, (5S,6R,7E,9E,11Z,14Z)-6-[[(R)-2-(Acetylamino)-3-oxo-3-[(carboxymethyl)amino]propyl]thio]-5-hydroxy-7,9,11,14-icosatetraenoic acid, (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-[(carboxymethyl)carbamoyl]-2-acetamidoethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid, Glycine, N-(N-acetyl-S-(1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-L-cysteinyl)-, (R-(R*,S*-(E,E,Z,Z)))-
| Molecular Formula | C27H42N2O7S |
|---|---|
| Molecular Weight | 538.27 g/mol |
| LogP | 3.6047 |
| Topological Polar Surface Area | 153.03 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 538.2713 |
| Heavy Atoms | 37 |
| Complexity | 808.57635 |
Chemical Identifiers
| CAS Number | 80115-94-2 |
|---|---|
| SMILES | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)C |
Product Overview
N-Acetylleukotriene D4 (CAS 80115-94-2), with molecular formula C27H42N2O7S and molecular weight 538.27 g/mol. IUPAC: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-acetamido-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid.
Chemical Property Profile of N-Acetylleukotriene D4
Property Insights of N-Acetylleukotriene D4
The XLogP value of 3.6047 indicates that N-Acetylleukotriene D4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.03 Ų indicates high polarity, suggesting N-Acetylleukotriene D4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetylleukotriene D4 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Acetylleukotriene D4?
The CAS number of N-Acetylleukotriene D4 is 80115-94-2.
What is the molecular formula of N-Acetylleukotriene D4?
The molecular formula of N-Acetylleukotriene D4 is C27H42N2O7S.
What is the molecular weight of N-Acetylleukotriene D4?
The molecular weight of N-Acetylleukotriene D4 is 538.27 g/mol.
Where can I buy N-Acetylleukotriene D4?
You can request a quote for N-Acetylleukotriene D4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetylleukotriene D4?
Yes, KEHONG BIO provides custom synthesis services for N-Acetylleukotriene D4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.