RefChem:235857
TL;DR: RefChem:235857 (CAS 141177-58-4) is a chemical compound with molecular formula C35H27N5O3S2 and molecular weight 629.1555 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(naphthalen-1-ylamino)methyl]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 10H-Phenothiazine, 10-(((tetrahydro-5-((1-naphthalenylamino)methyl)-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)-, 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(1-naphthalenylamino)methyl]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo-, 5-[(naphthalen-1-ylamino)methyl]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-{[(NAPHTHALEN-1-YL)AMINO]METHYL}-1-{[2-OXO-2-(10H-PHENOTHIAZIN-10-YL)ETHYL]AMINO}-3-PHENYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, 1-[[(10H-Phenothiazin-10-yl)carbonylmethyl]amino]-3-phenyl-5-(1-naphthyl)aminomethyl-2,3-dihydro-2-thioxopyrimidine-4,6(1H,5H)-dione
Technical Specifications
| Molecular Formula | C35H27N5O3S2 |
| Molecular Weight | 629.1555 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 629.1555 Da |
| Heavy Atoms | 45 |
| Complexity | 1090.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C(C(=O)N(C2=S)NCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)CNC6=CC=CC7=CC=CC=C76 |
| InChIKey | LFTCECAXYCYEHX-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:235857
Property Insights of RefChem:235857
The XLogP value of 6.9 indicates that RefChem:235857 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting RefChem:235857 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:235857 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:235857?
The CAS number of RefChem:235857 is 141177-58-4.
What is the molecular formula of RefChem:235857?
The molecular formula of RefChem:235857 is C35H27N5O3S2.
What is the molecular weight of RefChem:235857?
The molecular weight of RefChem:235857 is 629.1555 g/mol.
Where can I buy RefChem:235857?
You can request a quote for RefChem:235857 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:235857?
Yes, CoreyChem provides custom synthesis services for RefChem:235857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.