ASN 13558340
TL;DR: ASN 13558340 (CAS 879618-04-9) is a chemical compound with molecular formula C16H17N5OS2 and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
Also Known As: ASN 13558340, BRD-A64058630-001-01-4, 1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-{[5-(prop-2-en-1-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}ethanone, 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone, 1-(5-phenyl(2-pyrazolinyl))-2-[5-(prop-2-enylamino)(1,3,4-thiadiazol-2-ylthio) ]ethan-1-one
| Molecular Formula | C16H17N5OS2 |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 3.1875 |
| Topological Polar Surface Area | 70.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.08746 |
| Heavy Atoms | 24 |
| Complexity | 731.0788 |
Chemical Identifiers
| CAS Number | 879618-04-9 |
|---|---|
| SMILES | C=CCNC1=NN=C(S1)SCC(=O)N2C(CC=N2)C3=CC=CC=C3 |
Product Overview
ASN 13558340 (CAS 879618-04-9), with molecular formula C16H17N5OS2 and molecular weight 359.09 g/mol. IUPAC: 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of ASN 13558340
Property Insights of ASN 13558340
The XLogP value of 3.1875 indicates that ASN 13558340 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 13558340. Following Lipinski's Rule of Five, ASN 13558340 has 1 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 ASN 13558340?
The CAS number of ASN 13558340 is 879618-04-9.
What is the molecular formula of ASN 13558340?
The molecular formula of ASN 13558340 is C16H17N5OS2.
What is the molecular weight of ASN 13558340?
The molecular weight of ASN 13558340 is 359.09 g/mol.
Where can I buy ASN 13558340?
You can request a quote for ASN 13558340 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 13558340?
Yes, KEHONG BIO provides custom synthesis services for ASN 13558340 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.