RefChem:235854
TL;DR: RefChem:235854 (CAS 141177-56-2) is a chemical compound with molecular formula C31H25N5O4S2 and molecular weight 595.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-hydroxyanilino)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-(((4-hydroxyphenyl)amino)methyl)-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)-, 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[[(4-hydroxyphenyl)amino]methyl]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo-, 5-[(4-hydroxyanilino)methyl]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-[[(10H-Phenothiazin-10-yl)carbonylmethyl]amino]-3-phenyl-5-(4-hydroxyphenyl)aminomethyl-2,3-dihydro-2-thioxopyrimidine-4,6(1H,5H)-dione, 10H-Phenothiazine,10-[[[tetrahydro-5-[[(3-nitrophenyl)amino]methyl]-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl]amino]acetyl]-(9CI)
| Molecular Formula | C31H25N5O4S2 |
|---|---|
| Molecular Weight | 595.13 g/mol |
| LogP | 4.9147 |
| Topological Polar Surface Area | 105.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 595.1348 |
| Heavy Atoms | 42 |
| Complexity | 1637.0089 |
Chemical Identifiers
| CAS Number | 141177-56-2 |
|---|---|
| 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=C(C=C6)O |
Product Overview
RefChem:235854 (CAS 141177-56-2), with molecular formula C31H25N5O4S2 and molecular weight 595.13 g/mol. IUPAC: 5-[(4-hydroxyanilino)methyl]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of RefChem:235854
Property Insights of RefChem:235854
The XLogP value of 4.9147 indicates that RefChem:235854 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.22 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:235854. Following Lipinski's Rule of Five, RefChem:235854 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:235854?
The CAS number of RefChem:235854 is 141177-56-2.
What is the molecular formula of RefChem:235854?
The molecular formula of RefChem:235854 is C31H25N5O4S2.
What is the molecular weight of RefChem:235854?
The molecular weight of RefChem:235854 is 595.13 g/mol.
Where can I buy RefChem:235854?
You can request a quote for RefChem:235854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:235854?
Yes, KEHONG BIO provides custom synthesis services for RefChem:235854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.