MixCom6_001217
TL;DR: MixCom6_001217 (CAS 5555-18-0) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate
Also Known As: MixCom6_001217, 2-methylfurane-3-carbonyl chloride, methyl (4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate, methyl 4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate, Methyl 4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 1.6554 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.1001 |
| Heavy Atoms | 20 |
| Complexity | 611.2656 |
Chemical Identifiers
| CAS Number | 5555-18-0 |
|---|---|
| SMILES | CC1=C(C(=CC2=CC=C(C=C2)OC)C(=O)N1)C(=O)OC |
Product Overview
MixCom6_001217 (CAS 5555-18-0), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: methyl 4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate.
Chemical Property Profile of MixCom6_001217
Property Insights of MixCom6_001217
The XLogP value of 1.6554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom6_001217. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_001217. Following Lipinski's Rule of Five, MixCom6_001217 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 MixCom6_001217?
The CAS number of MixCom6_001217 is 5555-18-0.
What is the molecular formula of MixCom6_001217?
The molecular formula of MixCom6_001217 is C15H15NO4.
What is the molecular weight of MixCom6_001217?
The molecular weight of MixCom6_001217 is 273.10 g/mol.
Where can I buy MixCom6_001217?
You can request a quote for MixCom6_001217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001217?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.