(2E,4E,6E)-2,4,6-壬三烯-1-醇
TL;DR: (2E,4E,6E)-2,4,6-壬三烯-1-醇 (CAS 52665-69-7) is a chemical compound with molecular formula C29H37N3O6 and molecular weight 523.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E,6E)-2,4,6-壬三烯-1-醇
5-(methylamino)-2-[[3,5,9-trimethyl-2-[1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
Also Known As: Calcimycin, DL-Calcimycin, Antibiotic A23187, Ionophore A23187, Calcium ionophore A23187
| Molecular Formula | C29H37N3O6 |
|---|---|
| Molecular Weight | 523.27 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.26825 |
| Heavy Atoms | 38 |
| Complexity | 873.0 |
Chemical Identifiers
| CAS Number | 52665-69-7 |
|---|---|
| SMILES | CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC |
| InChIKey | HIYAVKIYRIFSCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2E,4E,6E)-2,4,6-壬三烯-1-醇 (CAS 52665-69-7), with molecular formula C29H37N3O6 and molecular weight 523.27 g/mol. IUPAC: 5-(methylamino)-2-[[3,5,9-trimethyl-2-[1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid.
Chemical Property Profile of (2E,4E,6E)-2,4,6-壬三烯-1-醇
Property Insights of (2E,4E,6E)-2,4,6-壬三烯-1-醇
The XLogP value of 5.9 indicates that (2E,4E,6E)-2,4,6-壬三烯-1-醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E,4E,6E)-2,4,6-壬三烯-1-醇. Following Lipinski's Rule of Five, (2E,4E,6E)-2,4,6-壬三烯-1-醇 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E,4E,6E)-2,4,6-壬三烯-1-醇?
The CAS number of (2E,4E,6E)-2,4,6-壬三烯-1-醇 is 52665-69-7.
What is the molecular formula of (2E,4E,6E)-2,4,6-壬三烯-1-醇?
The molecular formula of (2E,4E,6E)-2,4,6-壬三烯-1-醇 is C29H37N3O6.
What is the molecular weight of (2E,4E,6E)-2,4,6-壬三烯-1-醇?
The molecular weight of (2E,4E,6E)-2,4,6-壬三烯-1-醇 is 523.27 g/mol.
Where can I buy (2E,4E,6E)-2,4,6-壬三烯-1-醇?
You can request a quote for (2E,4E,6E)-2,4,6-壬三烯-1-醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E,4E,6E)-2,4,6-壬三烯-1-醇?
Yes, KEHONG BIO provides custom synthesis services for (2E,4E,6E)-2,4,6-壬三烯-1-醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.