C27H33N5O4S
TL;DR: C27H33N5O4S (CAS 497169-33-2) is a chemical compound with molecular formula C27H33N5O4S and molecular weight 523.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-cyclohexyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
Also Known As: (E)-2-((4-cyclohexyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,3,4-trimethoxybenzylidene)acetohydrazide, 2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]acetohydrazide, N-[(1E)-2-(2,3,4-trimethoxyphenyl)-1-azavinyl]-2-[4-cyclohexyl-5-(4-methylphen yl)(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C27H33N5O4S |
|---|---|
| Molecular Weight | 523.23 g/mol |
| LogP | 5.02692 |
| Topological Polar Surface Area | 99.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 523.22534 |
| Heavy Atoms | 37 |
| Complexity | 1236.3386 |
Chemical Identifiers
| CAS Number | 497169-33-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)N/N=C/C4=C(C(=C(C=C4)OC)OC)OC |
Product Overview
C27H33N5O4S (CAS 497169-33-2), with molecular formula C27H33N5O4S and molecular weight 523.23 g/mol. IUPAC: 2-[[4-cyclohexyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of C27H33N5O4S
Property Insights of C27H33N5O4S
The XLogP value of 5.02692 indicates that C27H33N5O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.86 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H33N5O4S. Following Lipinski's Rule of Five, C27H33N5O4S has 1 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 C27H33N5O4S?
The CAS number of C27H33N5O4S is 497169-33-2.
What is the molecular formula of C27H33N5O4S?
The molecular formula of C27H33N5O4S is C27H33N5O4S.
What is the molecular weight of C27H33N5O4S?
The molecular weight of C27H33N5O4S is 523.23 g/mol.
Where can I buy C27H33N5O4S?
You can request a quote for C27H33N5O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H33N5O4S?
Yes, KEHONG BIO provides custom synthesis services for C27H33N5O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.