A1675/0071455
TL;DR: A1675/0071455 (CAS 311791-75-0) is a chemical compound with molecular formula C23H27N5O3S and molecular weight 453.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-(phenoxymethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate
Also Known As: A1675/0071455, ethyl 4-[[3-(phenoxymethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate, ethyl 4-{[3-(phenoxymethyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate, ethyl 4-((3-(phenoxymethyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl)piperazine-1-carboxylate, ETHYL 4-{[3-(PHENOXYMETHYL)-4-PHENYL-5-SULFANYLIDENE-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL]METHYL}PIPERAZINE-1-CARBOXYLATE
| Molecular Formula | C23H27N5O3S |
|---|---|
| Molecular Weight | 453.18 g/mol |
| LogP | 3.71389 |
| Topological Polar Surface Area | 64.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.18347 |
| Heavy Atoms | 32 |
| Complexity | 1076.0162 |
Chemical Identifiers
| CAS Number | 311791-75-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
A1675/0071455 (CAS 311791-75-0), with molecular formula C23H27N5O3S and molecular weight 453.18 g/mol. IUPAC: ethyl 4-[[3-(phenoxymethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of A1675/0071455
Property Insights of A1675/0071455
The XLogP value of 3.71389 indicates that A1675/0071455 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.76 Ų falls within the moderate polarity range, balancing permeability and solubility for A1675/0071455. Following Lipinski's Rule of Five, A1675/0071455 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1675/0071455?
The CAS number of A1675/0071455 is 311791-75-0.
What is the molecular formula of A1675/0071455?
The molecular formula of A1675/0071455 is C23H27N5O3S.
What is the molecular weight of A1675/0071455?
The molecular weight of A1675/0071455 is 453.18 g/mol.
Where can I buy A1675/0071455?
You can request a quote for A1675/0071455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1675/0071455?
Yes, KEHONG BIO provides custom synthesis services for A1675/0071455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.