C27H30N6OS
TL;DR: C27H30N6OS (CAS 488121-00-2) is a chemical compound with molecular formula C27H30N6OS and molecular weight 486.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
Also Known As: 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide, 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide, N-[(1Z)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-2-{5-[4-(tert-butyl)phenyl]-4-(4-m ethylphenyl)(1,2,4-triazol-3-ylthio)}acetamide
| Molecular Formula | C27H30N6OS |
|---|---|
| Molecular Weight | 486.22 g/mol |
| LogP | 5.12112 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.22018 |
| Heavy Atoms | 35 |
| Complexity | 1327.5061 |
Chemical Identifiers
| CAS Number | 488121-00-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C\C3=CC=CN3C)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
C27H30N6OS (CAS 488121-00-2), with molecular formula C27H30N6OS and molecular weight 486.22 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.
Chemical Property Profile of C27H30N6OS
Property Insights of C27H30N6OS
The XLogP value of 5.12112 indicates that C27H30N6OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H30N6OS. Following Lipinski's Rule of Five, C27H30N6OS has 1 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 C27H30N6OS?
The CAS number of C27H30N6OS is 488121-00-2.
What is the molecular formula of C27H30N6OS?
The molecular formula of C27H30N6OS is C27H30N6OS.
What is the molecular weight of C27H30N6OS?
The molecular weight of C27H30N6OS is 486.22 g/mol.
Where can I buy C27H30N6OS?
You can request a quote for C27H30N6OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H30N6OS?
Yes, KEHONG BIO provides custom synthesis services for C27H30N6OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.