RefChem:1078595
TL;DR: RefChem:1078595 (CAS 134578-91-9) is a chemical compound with molecular formula C29H39NO6 and molecular weight 497.27774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[5-(dimethylamino)-5-oxopentoxy]-6-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic acid
Also Known As: Benzenepropanoic acid, 2-((5-(dimethylamino)-5-oxopentyl)oxy)-6-((6-(4-methoxyphenyl)-5-hexenyl)oxy)-, (E)-, 3-[2-[4-(dimethylcarbamoyl)butoxy]-6-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic Acid, 3-[2-[5-(dimethylamino)-5-oxopentoxy]-6-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoic acid
Technical Specifications
| Molecular Formula | C29H39NO6 |
| Molecular Weight | 497.27774 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 497.27774 Da |
| Heavy Atoms | 36 |
| Complexity | 644.0 |
| SMILES | CN(C)C(=O)CCCCOC1=CC=CC(=C1CCC(=O)O)OCCCC/C=C/C2=CC=C(C=C2)OC |
| InChIKey | MKMCLIAYMLENIN-IZZDOVSWSA-N |
Chemical Property Profile of RefChem:1078595
Property Insights of RefChem:1078595
The XLogP value of 5.1 indicates that RefChem:1078595 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078595. Following Lipinski's Rule of Five, RefChem:1078595 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1078595?
The CAS number of RefChem:1078595 is 134578-91-9.
What is the molecular formula of RefChem:1078595?
The molecular formula of RefChem:1078595 is C29H39NO6.
What is the molecular weight of RefChem:1078595?
The molecular weight of RefChem:1078595 is 497.27774 g/mol.
Where can I buy RefChem:1078595?
You can request a quote for RefChem:1078595 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1078595?
Yes, CoreyChem provides custom synthesis services for RefChem:1078595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.