ChemDiv1_014084
TL;DR: ChemDiv1_014084 (CAS 389072-02-0) is a chemical compound with molecular formula C20H18FN7O3S3 and molecular weight 519.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: ChemDiv1_014084, F0508-5052, N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}methyl)furan-2-carboxamide, N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)furan-2-carboxamide, N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
| Molecular Formula | C20H18FN7O3S3 |
|---|---|
| Molecular Weight | 519.06 g/mol |
| LogP | 3.6237 |
| Topological Polar Surface Area | 127.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 519.0617 |
| Heavy Atoms | 34 |
| Complexity | 1258.947 |
Chemical Identifiers
| CAS Number | 389072-02-0 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)C4=CC=CO4 |
Product Overview
ChemDiv1_014084 (CAS 389072-02-0), with molecular formula C20H18FN7O3S3 and molecular weight 519.06 g/mol. IUPAC: N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
Chemical Property Profile of ChemDiv1_014084
Property Insights of ChemDiv1_014084
The XLogP value of 3.6237 indicates that ChemDiv1_014084 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.83 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014084. Following Lipinski's Rule of Five, ChemDiv1_014084 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014084?
The CAS number of ChemDiv1_014084 is 389072-02-0.
What is the molecular formula of ChemDiv1_014084?
The molecular formula of ChemDiv1_014084 is C20H18FN7O3S3.
What is the molecular weight of ChemDiv1_014084?
The molecular weight of ChemDiv1_014084 is 519.06 g/mol.
Where can I buy ChemDiv1_014084?
You can request a quote for ChemDiv1_014084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014084?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.