2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-
TL;DR: 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)- (CAS 86717-05-7) is a chemical compound with molecular formula C20H20ClN5OS2 and molecular weight 445.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroanilino)-3-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
Also Known As: 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-, 1-[(2-CHLOROPHENYL)AMINO]-3-[[5-(1H-INDOL-3-YLMETHYLAMINO)-1,3,4-THIAD IAZOL-2-YL]SULFANYL]PROPAN-2-OL, 2-Propanol,1-[(2-chlorophenyl)amino]-3-[[5-[(1H-indol-3-ylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]-, 1-(2-Chloroanilino)-3-[(5-{[(1H-indol-3-yl)methyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol, 1-(2-chloroanilino)-3-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
| Molecular Formula | C20H20ClN5OS2 |
|---|---|
| Molecular Weight | 445.08 g/mol |
| LogP | 4.85 |
| Topological Polar Surface Area | 85.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 445.07977 |
| Heavy Atoms | 29 |
| Complexity | 1083.3768 |
Chemical Identifiers
| CAS Number | 86717-05-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CNC3=NN=C(S3)SCC(CNC4=CC=CC=C4Cl)O |
Product Overview
2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)- (CAS 86717-05-7), with molecular formula C20H20ClN5OS2 and molecular weight 445.08 g/mol. IUPAC: 1-(2-chloroanilino)-3-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol.
Chemical Property Profile of 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-
Property Insights of 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-
The XLogP value of 4.85 indicates that 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-. Following Lipinski's Rule of Five, 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)- has 4 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 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-?
The CAS number of 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)- is 86717-05-7.
What is the molecular formula of 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-?
The molecular formula of 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)- is C20H20ClN5OS2.
What is the molecular weight of 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-?
The molecular weight of 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)- is 445.08 g/mol.
Where can I buy 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-?
You can request a quote for 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1-((2-chlorophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.