ASN 13558637
TL;DR: ASN 13558637 (CAS 879585-12-3) is a chemical compound with molecular formula C20H18N4O2S and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
Also Known As: ASN 13558637, 2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methyl-1H-indol-3-yl)ethanone, 2-((5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone, 2-[5-(2-methoxyphenyl)(4H-1,2,4-triazol-3-ylthio)]-1-(2-methylindol-3-yl)ethan -1-one, 2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
| Molecular Formula | C20H18N4O2S |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 4.24502 |
| Topological Polar Surface Area | 83.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.11505 |
| Heavy Atoms | 27 |
| Complexity | 1116.0828 |
Chemical Identifiers
| CAS Number | 879585-12-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4OC |
Product Overview
ASN 13558637 (CAS 879585-12-3), with molecular formula C20H18N4O2S and molecular weight 378.12 g/mol. IUPAC: 2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone.
Chemical Property Profile of ASN 13558637
Property Insights of ASN 13558637
The XLogP value of 4.24502 indicates that ASN 13558637 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 13558637. Following Lipinski's Rule of Five, ASN 13558637 has 2 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 ASN 13558637?
The CAS number of ASN 13558637 is 879585-12-3.
What is the molecular formula of ASN 13558637?
The molecular formula of ASN 13558637 is C20H18N4O2S.
What is the molecular weight of ASN 13558637?
The molecular weight of ASN 13558637 is 378.12 g/mol.
Where can I buy ASN 13558637?
You can request a quote for ASN 13558637 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 13558637?
Yes, KEHONG BIO provides custom synthesis services for ASN 13558637 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.