C33H28N2O4S
TL;DR: C33H28N2O4S (CAS 900262-33-1) is a chemical compound with molecular formula C33H28N2O4S and molecular weight 548.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-(4-(benzyloxy)-3-methoxybenzylidene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione, 5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[4-(benzyloxy)-3-methoxybenzylidene]-1,3-bis(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C33H28N2O4S |
|---|---|
| Molecular Weight | 548.18 g/mol |
| LogP | 6.63934 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.177 |
| Heavy Atoms | 40 |
| Complexity | 1561.2823 |
Chemical Identifiers
| CAS Number | 900262-33-1 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)N(C2=S)C5=CC=CC=C5C |
Product Overview
C33H28N2O4S (CAS 900262-33-1), with molecular formula C33H28N2O4S and molecular weight 548.18 g/mol. IUPAC: 5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of C33H28N2O4S
Property Insights of C33H28N2O4S
The XLogP value of 6.63934 indicates that C33H28N2O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, C33H28N2O4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C33H28N2O4S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C33H28N2O4S?
The CAS number of C33H28N2O4S is 900262-33-1.
What is the molecular formula of C33H28N2O4S?
The molecular formula of C33H28N2O4S is C33H28N2O4S.
What is the molecular weight of C33H28N2O4S?
The molecular weight of C33H28N2O4S is 548.18 g/mol.
Where can I buy C33H28N2O4S?
You can request a quote for C33H28N2O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C33H28N2O4S?
Yes, KEHONG BIO provides custom synthesis services for C33H28N2O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.