Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate
TL;DR: Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate (CAS 138258-82-9) is a chemical compound with molecular formula C24H30O5 and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-[(1R,2R,3R)-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-3-methyl-5-oxocyclopentyl]hepta-4,5-dienoate
Also Known As: Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate, 4,5-HEPTADIENOIC ACID, 7-(2-(3-HYDROXY-4-PHENOXY-1-BUTENYL)-3-METHYL-5-OXOCYCLOPENTYL)-, METHYL ESTER, (1R-(1.ALPHA.(R*),2.BETA.(1E,3R*),3.ALPHA.))-, 4,5-Heptadienoic acid, 7-(2-(3-hydroxy-4-phenoxy-1-butenyl)-3-methyl-5-oxocyclopentyl)-, methyl ester, (1R-(1alpha(R*),2beta(1E,3R*),3alpha))-, methyl (5R)-7-((1S,2S,3S)-2-((E)-3-hydroxy-4-phenoxybut-1-en-1-yl)-3-methyl-5-oxocyclopentyl)hepta-4,5-dienoate, methyl 7-[(1R,2R,3R)-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-3-methyl-5-oxocyclopentyl]hepta-4,5-dienoate
| Molecular Formula | C24H30O5 |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 3.8784 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.20932 |
| Heavy Atoms | 29 |
| Complexity | 745.7943 |
Chemical Identifiers
| CAS Number | 138258-82-9 |
|---|---|
| SMILES | C[C@@H]1CC(=O)[C@@H]([C@H]1/C=C/[C@H](COC2=CC=CC=C2)O)CC=C=CCCC(=O)OC |
Product Overview
Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate (CAS 138258-82-9), with molecular formula C24H30O5 and molecular weight 398.21 g/mol. IUPAC: methyl 7-[(1R,2R,3R)-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-3-methyl-5-oxocyclopentyl]hepta-4,5-dienoate.
Chemical Property Profile of Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate
Property Insights of Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate
The XLogP value of 3.8784 indicates that Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate. Following Lipinski's Rule of Five, Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate has 1 hydrogen bond donor(s) and 5 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 Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate?
The CAS number of Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate is 138258-82-9.
What is the molecular formula of Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate?
The molecular formula of Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate is C24H30O5.
What is the molecular weight of Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate?
The molecular weight of Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate is 398.21 g/mol.
Where can I buy Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate?
You can request a quote for Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-7-(3-methyl-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-4,5-heptadienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.