A2705/0115109
TL;DR: A2705/0115109 (CAS 442632-74-8) is a chemical compound with molecular formula C16H17N7OS2 and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: A2705/0115109, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(5-ethyl(1,3,4-thiadiazol-2-yl))-2-(4-prop-2-enyl-5-(3-pyridyl)(1,2,4-triazo l-3-ylthio))acetamide
| Molecular Formula | C16H17N7OS2 |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 2.6708 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 387.0936 |
| Heavy Atoms | 26 |
| Complexity | 891.15265 |
Chemical Identifiers
| CAS Number | 442632-74-8 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3 |
Product Overview
A2705/0115109 (CAS 442632-74-8), with molecular formula C16H17N7OS2 and molecular weight 387.09 g/mol. IUPAC: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of A2705/0115109
Property Insights of A2705/0115109
The XLogP value of 2.6708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2705/0115109. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for A2705/0115109. Following Lipinski's Rule of Five, A2705/0115109 has 1 hydrogen bond donor(s) and 8 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 A2705/0115109?
The CAS number of A2705/0115109 is 442632-74-8.
What is the molecular formula of A2705/0115109?
The molecular formula of A2705/0115109 is C16H17N7OS2.
What is the molecular weight of A2705/0115109?
The molecular weight of A2705/0115109 is 387.09 g/mol.
Where can I buy A2705/0115109?
You can request a quote for A2705/0115109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2705/0115109?
Yes, KEHONG BIO provides custom synthesis services for A2705/0115109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.