ChemDiv1_012383
TL;DR: ChemDiv1_012383 (CAS 310450-79-4) is a chemical compound with molecular formula C21H21N7O4S2 and molecular weight 499.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-ethoxyphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: ChemDiv1_012383, F0772-2517, N-((4-(4-ethoxyphenyl)-5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)furan-2-carboxamide, N-[[4-(4-ethoxyphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide, N-{[4-(4-ETHOXYPHENYL)-5-({[(5-METHYL-1,3,4-THIADIAZOL-2-YL)CARBAMOYL]METHYL}SULFANYL)-4H-1,2,4-TRIAZOL-3-YL]METHYL}FURAN-2-CARBOXAMIDE
| Molecular Formula | C21H21N7O4S2 |
|---|---|
| Molecular Weight | 499.11 g/mol |
| LogP | 3.07972 |
| Topological Polar Surface Area | 137.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 499.10965 |
| Heavy Atoms | 34 |
| Complexity | 1252.6566 |
Chemical Identifiers
| CAS Number | 310450-79-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NN=C(S3)C)CNC(=O)C4=CC=CO4 |
Product Overview
ChemDiv1_012383 (CAS 310450-79-4), with molecular formula C21H21N7O4S2 and molecular weight 499.11 g/mol. IUPAC: N-[[4-(4-ethoxyphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
Chemical Property Profile of ChemDiv1_012383
Property Insights of ChemDiv1_012383
The XLogP value of 3.07972 indicates that ChemDiv1_012383 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012383. Following Lipinski's Rule of Five, ChemDiv1_012383 has 2 hydrogen bond donor(s) and 10 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 ChemDiv1_012383?
The CAS number of ChemDiv1_012383 is 310450-79-4.
What is the molecular formula of ChemDiv1_012383?
The molecular formula of ChemDiv1_012383 is C21H21N7O4S2.
What is the molecular weight of ChemDiv1_012383?
The molecular weight of ChemDiv1_012383 is 499.11 g/mol.
Where can I buy ChemDiv1_012383?
You can request a quote for ChemDiv1_012383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012383?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.