CAS 618073-31-7 - C29H29FN2O5S
TL;DR: CAS 618073-31-7 - C29H29FN2O5S (CAS 618073-31-7) is a chemical compound with molecular formula C29H29FN2O5S and molecular weight 536.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3E)-2-(4-tert-butylphenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 2-(2-(4-(tert-butyl)phenyl)-3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
| Molecular Formula | C29H29FN2O5S |
|---|---|
| Molecular Weight | 536.18 g/mol |
| LogP | 5.99954 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 536.1781 |
| Heavy Atoms | 38 |
| Complexity | 1467.0643 |
Chemical Identifiers
| CAS Number | 618073-31-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=CC(=C(C=C3)C)F)\O)/C(=O)C2=O)C4=CC=C(C=C4)C(C)(C)C)C |
Product Overview
CAS 618073-31-7 - C29H29FN2O5S (CAS 618073-31-7), with molecular formula C29H29FN2O5S and molecular weight 536.18 g/mol. IUPAC: ethyl 2-[(3E)-2-(4-tert-butylphenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of CAS 618073-31-7 - C29H29FN2O5S
Property Insights of CAS 618073-31-7 - C29H29FN2O5S
The XLogP value of 5.99954 indicates that CAS 618073-31-7 - C29H29FN2O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 618073-31-7 - C29H29FN2O5S. Following Lipinski's Rule of Five, CAS 618073-31-7 - C29H29FN2O5S has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 618073-31-7 - C29H29FN2O5S?
The CAS number of CAS 618073-31-7 - C29H29FN2O5S is 618073-31-7.
What is the molecular formula of CAS 618073-31-7 - C29H29FN2O5S?
The molecular formula of CAS 618073-31-7 - C29H29FN2O5S is C29H29FN2O5S.
What is the molecular weight of CAS 618073-31-7 - C29H29FN2O5S?
The molecular weight of CAS 618073-31-7 - C29H29FN2O5S is 536.18 g/mol.
Where can I buy CAS 618073-31-7 - C29H29FN2O5S?
You can request a quote for CAS 618073-31-7 - C29H29FN2O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 618073-31-7 - C29H29FN2O5S?
Yes, KEHONG BIO provides custom synthesis services for CAS 618073-31-7 - C29H29FN2O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.