AB00684570-01
TL;DR: AB00684570-01 (CAS 689749-28-8) is a chemical compound with molecular formula C18H17N5O5S2 and molecular weight 447.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(4-nitrophenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: AB00684570-01, F0601-0058, ethyl 2-{[4-(4-nitrophenyl)-5-{[(thiophen-2-yl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl 2-((4-(4-nitrophenyl)-5-((thiophene-2-carboxamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[[4-(4-nitrophenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C18H17N5O5S2 |
|---|---|
| Molecular Weight | 447.07 g/mol |
| LogP | 2.8222 |
| Topological Polar Surface Area | 129.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 447.0671 |
| Heavy Atoms | 30 |
| Complexity | 1033.9318 |
Chemical Identifiers
| CAS Number | 689749-28-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CC=CS3 |
Product Overview
AB00684570-01 (CAS 689749-28-8), with molecular formula C18H17N5O5S2 and molecular weight 447.07 g/mol. IUPAC: ethyl 2-[[4-(4-nitrophenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of AB00684570-01
Property Insights of AB00684570-01
The XLogP value of 2.8222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684570-01. The TPSA of 129.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684570-01. Following Lipinski's Rule of Five, AB00684570-01 has 1 hydrogen bond donor(s) and 9 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 AB00684570-01?
The CAS number of AB00684570-01 is 689749-28-8.
What is the molecular formula of AB00684570-01?
The molecular formula of AB00684570-01 is C18H17N5O5S2.
What is the molecular weight of AB00684570-01?
The molecular weight of AB00684570-01 is 447.07 g/mol.
Where can I buy AB00684570-01?
You can request a quote for AB00684570-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684570-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684570-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.