A1770/0075021
TL;DR: A1770/0075021 (CAS 312281-91-7) is a chemical compound with molecular formula C24H35N5O3S and molecular weight 473.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate
Also Known As: A1770/0075021, ethyl 4-({3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)piperazine-1-carboxylate, ethyl 4-[[3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate, ethyl 4-((3-((4-cyclohexylphenoxy)methyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl)piperazine-1-carboxylate, ethyl 4-({3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)-1-piperazinecarboxylate
| Molecular Formula | C24H35N5O3S |
|---|---|
| Molecular Weight | 473.25 g/mol |
| LogP | 4.30939 |
| Topological Polar Surface Area | 64.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.24606 |
| Heavy Atoms | 33 |
| Complexity | 972.9762 |
Chemical Identifiers
| CAS Number | 312281-91-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)C4CCCCC4)C |
Product Overview
A1770/0075021 (CAS 312281-91-7), with molecular formula C24H35N5O3S and molecular weight 473.25 g/mol. IUPAC: ethyl 4-[[3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of A1770/0075021
Property Insights of A1770/0075021
The XLogP value of 4.30939 indicates that A1770/0075021 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 A1770/0075021. Following Lipinski's Rule of Five, A1770/0075021 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 A1770/0075021?
The CAS number of A1770/0075021 is 312281-91-7.
What is the molecular formula of A1770/0075021?
The molecular formula of A1770/0075021 is C24H35N5O3S.
What is the molecular weight of A1770/0075021?
The molecular weight of A1770/0075021 is 473.25 g/mol.
Where can I buy A1770/0075021?
You can request a quote for A1770/0075021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1770/0075021?
Yes, KEHONG BIO provides custom synthesis services for A1770/0075021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.