A3877/0164766
TL;DR: A3877/0164766 (CAS 728035-14-1) is a chemical compound with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: A3877/0164766, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,5-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H17N3O4S |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 3.38529 |
| Topological Polar Surface Area | 70.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.09396 |
| Heavy Atoms | 26 |
| Complexity | 989.6611 |
Chemical Identifiers
| CAS Number | 728035-14-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4)OC |
Product Overview
A3877/0164766 (CAS 728035-14-1), with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol. IUPAC: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of A3877/0164766
Property Insights of A3877/0164766
The XLogP value of 3.38529 indicates that A3877/0164766 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.53 Ų falls within the moderate polarity range, balancing permeability and solubility for A3877/0164766. Following Lipinski's Rule of Five, A3877/0164766 has 1 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 A3877/0164766?
The CAS number of A3877/0164766 is 728035-14-1.
What is the molecular formula of A3877/0164766?
The molecular formula of A3877/0164766 is C18H17N3O4S.
What is the molecular weight of A3877/0164766?
The molecular weight of A3877/0164766 is 371.09 g/mol.
Where can I buy A3877/0164766?
You can request a quote for A3877/0164766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3877/0164766?
Yes, KEHONG BIO provides custom synthesis services for A3877/0164766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.