CAS 618071-67-3 - C31H34N2O7S
TL;DR: CAS 618071-67-3 - C31H34N2O7S (CAS 618071-67-3) is a chemical compound with molecular formula C31H34N2O7S and molecular weight 578.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3E)-2-(4-butoxyphenyl)-3-[(4-butoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Methyl 2-(3-(4-butoxybenzoyl)-2-(4-butoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
| Molecular Formula | C31H34N2O7S |
|---|---|
| Molecular Weight | 578.21 g/mol |
| LogP | 6.22222 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 578.2087 |
| Heavy Atoms | 41 |
| Complexity | 1427.6481 |
Chemical Identifiers
| CAS Number | 618071-67-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OCCCC)\O)/C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OC)C |
Product Overview
CAS 618071-67-3 - C31H34N2O7S (CAS 618071-67-3), with molecular formula C31H34N2O7S and molecular weight 578.21 g/mol. IUPAC: methyl 2-[(3E)-2-(4-butoxyphenyl)-3-[(4-butoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of CAS 618071-67-3 - C31H34N2O7S
Property Insights of CAS 618071-67-3 - C31H34N2O7S
The XLogP value of 6.22222 indicates that CAS 618071-67-3 - C31H34N2O7S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.26 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 618071-67-3 - C31H34N2O7S. Following Lipinski's Rule of Five, CAS 618071-67-3 - C31H34N2O7S has 1 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 618071-67-3 - C31H34N2O7S?
The CAS number of CAS 618071-67-3 - C31H34N2O7S is 618071-67-3.
What is the molecular formula of CAS 618071-67-3 - C31H34N2O7S?
The molecular formula of CAS 618071-67-3 - C31H34N2O7S is C31H34N2O7S.
What is the molecular weight of CAS 618071-67-3 - C31H34N2O7S?
The molecular weight of CAS 618071-67-3 - C31H34N2O7S is 578.21 g/mol.
Where can I buy CAS 618071-67-3 - C31H34N2O7S?
You can request a quote for CAS 618071-67-3 - C31H34N2O7S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 618071-67-3 - C31H34N2O7S?
Yes, KEHONG BIO provides custom synthesis services for CAS 618071-67-3 - C31H34N2O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.