2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)-
TL;DR: 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)- (CAS 136806-22-9) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-4-(propylamino)chromene-3-carbaldehyde
Also Known As: 2-oxo-4-(propylamino)chromene-3-carbaldehyde, 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)-, 2-oxo-4-(propylamino)-2H-chromene-3-carbaldehyde, AQ-349/42302561, 2-Oxo-4-(propylamino)-2H-1-benzopyran-3-carbaldehyde
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.4274 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 601.12634 |
Chemical Identifiers
| CAS Number | 136806-22-9 |
|---|---|
| SMILES | CCCNC1=C(C(=O)OC2=CC=CC=C21)C=O |
Product Overview
2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)- (CAS 136806-22-9), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 2-oxo-4-(propylamino)chromene-3-carbaldehyde.
Chemical Property Profile of 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)-
Property Insights of 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)-
The XLogP value of 2.4274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)-. With a topological polar surface area (TPSA) of 59.31 Ų, 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)- has 1 hydrogen bond donor(s) and 4 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 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)-?
The CAS number of 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)- is 136806-22-9.
What is the molecular formula of 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)-?
The molecular formula of 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)- is C13H13NO3.
What is the molecular weight of 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)-?
The molecular weight of 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)- is 231.09 g/mol.
Where can I buy 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)-?
You can request a quote for 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-3-carboxaldehyde, 2-oxo-4-(propylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.