CAS 618081-55-3 - C27H29FN2O7
TL;DR: CAS 618081-55-3 - C27H29FN2O7 (CAS 618081-55-3) is a chemical compound with molecular formula C27H29FN2O7 and molecular weight 512.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: Methyl 4-(3-(3-fluoro-4-methoxybenzoyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
| Molecular Formula | C27H29FN2O7 |
|---|---|
| Molecular Weight | 512.20 g/mol |
| LogP | 2.7649 |
| Topological Polar Surface Area | 105.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.19586 |
| Heavy Atoms | 37 |
| Complexity | 1205.7354 |
Chemical Identifiers
| CAS Number | 618081-55-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)C(=O)OC)/O)F |
Product Overview
CAS 618081-55-3 - C27H29FN2O7 (CAS 618081-55-3), with molecular formula C27H29FN2O7 and molecular weight 512.20 g/mol. IUPAC: methyl 4-[(3E)-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of CAS 618081-55-3 - C27H29FN2O7
Property Insights of CAS 618081-55-3 - C27H29FN2O7
The XLogP value of 2.7649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CAS 618081-55-3 - C27H29FN2O7. The TPSA of 105.61 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 618081-55-3 - C27H29FN2O7. Following Lipinski's Rule of Five, CAS 618081-55-3 - C27H29FN2O7 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 618081-55-3 - C27H29FN2O7?
The CAS number of CAS 618081-55-3 - C27H29FN2O7 is 618081-55-3.
What is the molecular formula of CAS 618081-55-3 - C27H29FN2O7?
The molecular formula of CAS 618081-55-3 - C27H29FN2O7 is C27H29FN2O7.
What is the molecular weight of CAS 618081-55-3 - C27H29FN2O7?
The molecular weight of CAS 618081-55-3 - C27H29FN2O7 is 512.20 g/mol.
Where can I buy CAS 618081-55-3 - C27H29FN2O7?
You can request a quote for CAS 618081-55-3 - C27H29FN2O7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 618081-55-3 - C27H29FN2O7?
Yes, KEHONG BIO provides custom synthesis services for CAS 618081-55-3 - C27H29FN2O7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.