F3226-1310
TL;DR: F3226-1310 (CAS 579442-69-6) is a chemical compound with molecular formula C22H27N3O5S and molecular weight 445.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: F3226-1310, methyl 4-({1-[3-(dimethylamino)propyl]-4-hydroxy-5-oxo-2-(2-thienyl)-3-pyrrolin-3-yl}carbonyl)-3,5-dimethyl-2-pyrrolecarboxylate, methyl 4-[[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-{1-[3-(dimethylamino)propyl]-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C22H27N3O5S |
|---|---|
| Molecular Weight | 445.17 g/mol |
| LogP | 2.85304 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.16714 |
| Heavy Atoms | 31 |
| Complexity | 1035.9832 |
Chemical Identifiers
| CAS Number | 579442-69-6 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=CS3)O)C)C(=O)OC |
Product Overview
F3226-1310 (CAS 579442-69-6), with molecular formula C22H27N3O5S and molecular weight 445.17 g/mol. IUPAC: methyl 4-[[1-[3-(dimethylamino)propyl]-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of F3226-1310
Property Insights of F3226-1310
The XLogP value of 2.85304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F3226-1310. The TPSA of 102.94 Ų falls within the moderate polarity range, balancing permeability and solubility for F3226-1310. Following Lipinski's Rule of Five, F3226-1310 has 2 hydrogen bond donor(s) and 7 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 F3226-1310?
The CAS number of F3226-1310 is 579442-69-6.
What is the molecular formula of F3226-1310?
The molecular formula of F3226-1310 is C22H27N3O5S.
What is the molecular weight of F3226-1310?
The molecular weight of F3226-1310 is 445.17 g/mol.
Where can I buy F3226-1310?
You can request a quote for F3226-1310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3226-1310?
Yes, KEHONG BIO provides custom synthesis services for F3226-1310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.