A1998/0083923
TL;DR: A1998/0083923 (CAS 312523-57-2) is a chemical compound with molecular formula C23H26ClN5O2S and molecular weight 471.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-benzyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate
Also Known As: A1998/0083923, Ethyl 4-[[3-(4-chlorophenyl)-4,5-dihydro-4-(phenylmethyl)-5-thioxo-1H-1,2,4-triazol-1-yl]methyl]-1-piperazinecarboxylate, ethyl 4-{[4-benzyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate, ethyl 4-[[4-benzyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate, Ethyl 4-((3-(4-chlorophenyl)-4,5-dihydro-4-(phenylmethyl)-5-thioxo-1H-1,2,4-triazol-1-yl)methyl)-1-piperazinecarboxylate
| Molecular Formula | C23H26ClN5O2S |
|---|---|
| Molecular Weight | 471.15 g/mol |
| LogP | 4.51439 |
| Topological Polar Surface Area | 55.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.14957 |
| Heavy Atoms | 32 |
| Complexity | 1105.6655 |
Chemical Identifiers
| CAS Number | 312523-57-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4 |
Product Overview
A1998/0083923 (CAS 312523-57-2), with molecular formula C23H26ClN5O2S and molecular weight 471.15 g/mol. IUPAC: ethyl 4-[[4-benzyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of A1998/0083923
Property Insights of A1998/0083923
The XLogP value of 4.51439 indicates that A1998/0083923 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.53 Ų, A1998/0083923 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1998/0083923 has 0 hydrogen bond donor(s) and 5 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 A1998/0083923?
The CAS number of A1998/0083923 is 312523-57-2.
What is the molecular formula of A1998/0083923?
The molecular formula of A1998/0083923 is C23H26ClN5O2S.
What is the molecular weight of A1998/0083923?
The molecular weight of A1998/0083923 is 471.15 g/mol.
Where can I buy A1998/0083923?
You can request a quote for A1998/0083923 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1998/0083923?
Yes, KEHONG BIO provides custom synthesis services for A1998/0083923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.