AB00577580-06
TL;DR: AB00577580-06 (CAS 868977-39-3) is a chemical compound with molecular formula C17H15FN4O3S2 and molecular weight 406.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: AB00577580-06, F1838-3997, 2-({5-[2-(4-fluorophenyl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide, 2-(4-fluorophenyl)-N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide, 2-(4-fluorophenyl)-N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
| Molecular Formula | C17H15FN4O3S2 |
|---|---|
| Molecular Weight | 406.06 g/mol |
| LogP | 2.8599 |
| Topological Polar Surface Area | 97.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.05695 |
| Heavy Atoms | 27 |
| Complexity | 897.3115 |
Chemical Identifiers
| CAS Number | 868977-39-3 |
|---|---|
| SMILES | C1=COC(=C1)CNC(=O)CSC2=NN=C(S2)NC(=O)CC3=CC=C(C=C3)F |
Product Overview
AB00577580-06 (CAS 868977-39-3), with molecular formula C17H15FN4O3S2 and molecular weight 406.06 g/mol. IUPAC: 2-(4-fluorophenyl)-N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of AB00577580-06
Property Insights of AB00577580-06
The XLogP value of 2.8599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00577580-06. The TPSA of 97.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00577580-06. Following Lipinski's Rule of Five, AB00577580-06 has 2 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 AB00577580-06?
The CAS number of AB00577580-06 is 868977-39-3.
What is the molecular formula of AB00577580-06?
The molecular formula of AB00577580-06 is C17H15FN4O3S2.
What is the molecular weight of AB00577580-06?
The molecular weight of AB00577580-06 is 406.06 g/mol.
Where can I buy AB00577580-06?
You can request a quote for AB00577580-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00577580-06?
Yes, KEHONG BIO provides custom synthesis services for AB00577580-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.