ChemDiv2_006125
TL;DR: ChemDiv2_006125 (CAS 689748-71-8) is a chemical compound with molecular formula C17H16N4O3S2 and molecular weight 388.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-phenyl-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ChemDiv2_006125, IDI1_004840, F0601-0047, methyl 2-((4-phenyl-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[(4-phenyl-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C17H16N4O3S2 |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 2.5239 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.06638 |
| Heavy Atoms | 26 |
| Complexity | 878.81726 |
Chemical Identifiers
| CAS Number | 689748-71-8 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=CS3 |
Product Overview
ChemDiv2_006125 (CAS 689748-71-8), with molecular formula C17H16N4O3S2 and molecular weight 388.07 g/mol. IUPAC: methyl 2-[[4-phenyl-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv2_006125
Property Insights of ChemDiv2_006125
The XLogP value of 2.5239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006125. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006125. Following Lipinski's Rule of Five, ChemDiv2_006125 has 1 hydrogen bond donor(s) and 7 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 ChemDiv2_006125?
The CAS number of ChemDiv2_006125 is 689748-71-8.
What is the molecular formula of ChemDiv2_006125?
The molecular formula of ChemDiv2_006125 is C17H16N4O3S2.
What is the molecular weight of ChemDiv2_006125?
The molecular weight of ChemDiv2_006125 is 388.07 g/mol.
Where can I buy ChemDiv2_006125?
You can request a quote for ChemDiv2_006125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006125?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.