ML138 Analog
TL;DR: ML138 Analog (CAS 677329-41-8) is a chemical compound with molecular formula C19H15ClN4OS and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(3-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: ML138 Analog, 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine, 2-[5-[(3-chlorobenzyl)thio]-4-(2-furfuryl)-1,2,4-triazol-3-yl]pyridine, 2-(5-((3-chlorobenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)pyridine, 2-[5-[(3-chlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C19H15ClN4OS |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.06552 |
| Heavy Atoms | 26 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 677329-41-8 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC(=CC=C4)Cl |
| InChIKey | CTZNNTAZEWPSFQ-UHFFFAOYSA-N |
Product Overview
ML138 Analog (CAS 677329-41-8), with molecular formula C19H15ClN4OS and molecular weight 382.07 g/mol. IUPAC: 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of ML138 Analog
Property Insights of ML138 Analog
The XLogP value of 3.7 indicates that ML138 Analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ML138 Analog. Following Lipinski's Rule of Five, ML138 Analog has 0 hydrogen bond donor(s) and 5 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 ML138 Analog?
The CAS number of ML138 Analog is 677329-41-8.
What is the molecular formula of ML138 Analog?
The molecular formula of ML138 Analog is C19H15ClN4OS.
What is the molecular weight of ML138 Analog?
The molecular weight of ML138 Analog is 382.07 g/mol.
Where can I buy ML138 Analog?
You can request a quote for ML138 Analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML138 Analog?
Yes, KEHONG BIO provides custom synthesis services for ML138 Analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.