F3067-0442
TL;DR: F3067-0442 (CAS 853753-58-9) is a chemical compound with molecular formula C13H15NO6 and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-1-hydroxy-4-methoxy-3,4-dioxobut-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: F3067-0442, (Z)-methyl 4-(3-hydroxy-4-methoxy-4-oxobut-2-enoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl (2Z)-2-hydroxy-4-[5-(methoxycarbonyl)-2,4-dimethylpyrrol-3-yl]-4-oxobut -2-enoate, methyl 4-(3-hydroxy-4-methoxy-4-oxobut-2-enoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(Z)-1-hydroxy-4-methoxy-3,4-dioxobut-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C13H15NO6 |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 1.05914 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.08994 |
| Heavy Atoms | 20 |
| Complexity | 596.2477 |
Chemical Identifiers
| CAS Number | 853753-58-9 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C/C(=O)C(=O)OC)/O)C)C(=O)OC |
Product Overview
F3067-0442 (CAS 853753-58-9), with molecular formula C13H15NO6 and molecular weight 281.09 g/mol. IUPAC: methyl 4-[(Z)-1-hydroxy-4-methoxy-3,4-dioxobut-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of F3067-0442
Property Insights of F3067-0442
The XLogP value of 1.05914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F3067-0442. The TPSA of 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for F3067-0442. Following Lipinski's Rule of Five, F3067-0442 has 2 hydrogen bond donor(s) and 6 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 F3067-0442?
The CAS number of F3067-0442 is 853753-58-9.
What is the molecular formula of F3067-0442?
The molecular formula of F3067-0442 is C13H15NO6.
What is the molecular weight of F3067-0442?
The molecular weight of F3067-0442 is 281.09 g/mol.
Where can I buy F3067-0442?
You can request a quote for F3067-0442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3067-0442?
Yes, KEHONG BIO provides custom synthesis services for F3067-0442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.