A4080/0173880
TL;DR: A4080/0173880 (CAS 893769-79-4) is a chemical compound with molecular formula C18H15Cl2N3O3S and molecular weight 423.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yloxymethyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
Also Known As: A4080/0173880, 3-(1,3-benzodioxol-5-yloxymethyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole, 3-[(1,3-benzodioxol-5-yloxy)methyl]-5-[(2,4-dichlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole, 3-[(1,3-benzodioxol-5-yloxy)methyl]-5-[(2,4-dichlorobenzyl)thio]-4-methyl-4H-1,2,4-triazole, 3-[(2H-1,3-BENZODIOXOL-5-YLOXY)METHYL]-5-{[(2,4-DICHLOROPHENYL)METHYL]SULFANYL}-4-METHYL-4H-1,2,4-TRIAZOLE
| Molecular Formula | C18H15Cl2N3O3S |
|---|---|
| Molecular Weight | 423.02 g/mol |
| LogP | 4.7219 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.02112 |
| Heavy Atoms | 27 |
| Complexity | 980.48083 |
Chemical Identifiers
| CAS Number | 893769-79-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=C(C=C(C=C2)Cl)Cl)COC3=CC4=C(C=C3)OCO4 |
Product Overview
A4080/0173880 (CAS 893769-79-4), with molecular formula C18H15Cl2N3O3S and molecular weight 423.02 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yloxymethyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole.
Chemical Property Profile of A4080/0173880
Property Insights of A4080/0173880
The XLogP value of 4.7219 indicates that A4080/0173880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, A4080/0173880 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4080/0173880 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 A4080/0173880?
The CAS number of A4080/0173880 is 893769-79-4.
What is the molecular formula of A4080/0173880?
The molecular formula of A4080/0173880 is C18H15Cl2N3O3S.
What is the molecular weight of A4080/0173880?
The molecular weight of A4080/0173880 is 423.02 g/mol.
Where can I buy A4080/0173880?
You can request a quote for A4080/0173880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4080/0173880?
Yes, KEHONG BIO provides custom synthesis services for A4080/0173880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.