A3057/0129139
TL;DR: A3057/0129139 (CAS 539809-04-6) is a chemical compound with molecular formula C30H24N4OS3 and molecular weight 552.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone
Also Known As: A3057/0129139, 1-(10H-Phenothiazin-10-yl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 10-{[(5-{[(4-methylphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-10H-phenothiazine, 2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-1-(10H-PHENOTHIAZIN-10-YL)-1-ETHANONE, 10-(((5-(((4-METHYLPHENYL)SULFANYL)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETYL)-10H-PHENOTHIAZINE
| Molecular Formula | C30H24N4OS3 |
|---|---|
| Molecular Weight | 552.11 g/mol |
| LogP | 7.78962 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 552.1112 |
| Heavy Atoms | 38 |
| Complexity | 1539.703 |
Chemical Identifiers
| CAS Number | 539809-04-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64 |
Product Overview
A3057/0129139 (CAS 539809-04-6), with molecular formula C30H24N4OS3 and molecular weight 552.11 g/mol. IUPAC: 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone.
Chemical Property Profile of A3057/0129139
Property Insights of A3057/0129139
The XLogP value of 7.78962 indicates that A3057/0129139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, A3057/0129139 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3057/0129139 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3057/0129139?
The CAS number of A3057/0129139 is 539809-04-6.
What is the molecular formula of A3057/0129139?
The molecular formula of A3057/0129139 is C30H24N4OS3.
What is the molecular weight of A3057/0129139?
The molecular weight of A3057/0129139 is 552.11 g/mol.
Where can I buy A3057/0129139?
You can request a quote for A3057/0129139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3057/0129139?
Yes, KEHONG BIO provides custom synthesis services for A3057/0129139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.