CAS 618080-72-1 - C27H31BrN2O8
TL;DR: CAS 618080-72-1 - C27H31BrN2O8 (CAS 618080-72-1) is a chemical compound with molecular formula C27H31BrN2O8 and molecular weight 590.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Also Known As: 5-(3-Bromo-4-hydroxy-5-methoxyphenyl)-4-(3,4-dimethoxybenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C27H31BrN2O8 |
|---|---|
| Molecular Weight | 590.13 g/mol |
| LogP | 3.3245 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 590.1264 |
| Heavy Atoms | 38 |
| Complexity | 1241.8237 |
Chemical Identifiers
| CAS Number | 618080-72-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=C(C(=C4)Br)O)OC)/O)OC |
Product Overview
CAS 618080-72-1 - C27H31BrN2O8 (CAS 618080-72-1), with molecular formula C27H31BrN2O8 and molecular weight 590.13 g/mol. IUPAC: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione.
Chemical Property Profile of CAS 618080-72-1 - C27H31BrN2O8
Property Insights of CAS 618080-72-1 - C27H31BrN2O8
The XLogP value of 3.3245 indicates that CAS 618080-72-1 - C27H31BrN2O8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 618080-72-1 - C27H31BrN2O8. Following Lipinski's Rule of Five, CAS 618080-72-1 - C27H31BrN2O8 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 618080-72-1 - C27H31BrN2O8?
The CAS number of CAS 618080-72-1 - C27H31BrN2O8 is 618080-72-1.
What is the molecular formula of CAS 618080-72-1 - C27H31BrN2O8?
The molecular formula of CAS 618080-72-1 - C27H31BrN2O8 is C27H31BrN2O8.
What is the molecular weight of CAS 618080-72-1 - C27H31BrN2O8?
The molecular weight of CAS 618080-72-1 - C27H31BrN2O8 is 590.13 g/mol.
Where can I buy CAS 618080-72-1 - C27H31BrN2O8?
You can request a quote for CAS 618080-72-1 - C27H31BrN2O8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 618080-72-1 - C27H31BrN2O8?
Yes, KEHONG BIO provides custom synthesis services for CAS 618080-72-1 - C27H31BrN2O8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.