A4082/0173973
TL;DR: A4082/0173973 (CAS 893764-82-4) is a chemical compound with molecular formula C26H31N5O4S and molecular weight 509.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-3-[[[2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]methyl]benzoate
Also Known As: A4082/0173973, ethyl 4-methyl-3-((2-((5-(morpholinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)methyl)benzoate, ethyl 4-methyl-3-[[[2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]methyl]benzoate, ethyl 4-methyl-3-{[({[5-(morpholin-4-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]methyl}benzoate, ethyl 4-methyl-3-{[({[5-(morpholin-4-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]methyl}benzoate
| Molecular Formula | C26H31N5O4S |
|---|---|
| Molecular Weight | 509.21 g/mol |
| LogP | 2.99312 |
| Topological Polar Surface Area | 98.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 509.2097 |
| Heavy Atoms | 36 |
| Complexity | 1178.3325 |
Chemical Identifiers
| CAS Number | 893764-82-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)C)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCOCC4 |
Product Overview
A4082/0173973 (CAS 893764-82-4), with molecular formula C26H31N5O4S and molecular weight 509.21 g/mol. IUPAC: ethyl 4-methyl-3-[[[2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]methyl]benzoate.
Chemical Property Profile of A4082/0173973
Property Insights of A4082/0173973
The XLogP value of 2.99312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4082/0173973. The TPSA of 98.58 Ų falls within the moderate polarity range, balancing permeability and solubility for A4082/0173973. Following Lipinski's Rule of Five, A4082/0173973 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 A4082/0173973?
The CAS number of A4082/0173973 is 893764-82-4.
What is the molecular formula of A4082/0173973?
The molecular formula of A4082/0173973 is C26H31N5O4S.
What is the molecular weight of A4082/0173973?
The molecular weight of A4082/0173973 is 509.21 g/mol.
Where can I buy A4082/0173973?
You can request a quote for A4082/0173973 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4082/0173973?
Yes, KEHONG BIO provides custom synthesis services for A4082/0173973 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.