1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)-
TL;DR: 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)- (CAS 77809-94-0) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5E)-4-hydroxy-2-methyl-5-(2-oxoethylidene)cyclopentene-1-carbaldehyde
Also Known As: 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)-, (4S,5E)-4-hydroxy-2-methyl-5-(2-oxoethylidene)cyclopentene-1-carbaldehyde, 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(1-oxo-3-phenyl-2-propenyl)-
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 0.3917 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 273.49823 |
Chemical Identifiers
| CAS Number | 77809-94-0 |
|---|---|
| SMILES | CC1=C(/C(=C\C=O)/[C@H](C1)O)C=O |
Product Overview
1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)- (CAS 77809-94-0), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: (4S,5E)-4-hydroxy-2-methyl-5-(2-oxoethylidene)cyclopentene-1-carbaldehyde.
Chemical Property Profile of 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)-
Property Insights of 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)-
The XLogP value of 0.3917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)-. With a topological polar surface area (TPSA) of 54.37 Ų, 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)- has 1 hydrogen bond donor(s) and 3 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 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)-?
The CAS number of 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)- is 77809-94-0.
What is the molecular formula of 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)-?
The molecular formula of 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)- is C9H10O3.
What is the molecular weight of 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)-?
The molecular weight of 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)- is 166.06 g/mol.
Where can I buy 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)-?
You can request a quote for 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-2-methyl-5-(oxoethylidene)-, (4S,5E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.