AS-871/40777958
TL;DR: AS-871/40777958 (CAS 315200-77-2) is a chemical compound with molecular formula C18H16N4O2S3 and molecular weight 416.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
Also Known As: AS-871/40777958, 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-(3-hydroxyphenyl)methylidene]acetohydrazide, (E)-2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(3-hydroxybenzylidene)acetohydrazide, 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide, 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-(3-hydroxybenzylidene)acetohydrazide
| Molecular Formula | C18H16N4O2S3 |
|---|---|
| Molecular Weight | 416.04 g/mol |
| LogP | 3.7784 |
| Topological Polar Surface Area | 87.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.04355 |
| Heavy Atoms | 27 |
| Complexity | 915.7349 |
Chemical Identifiers
| CAS Number | 315200-77-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)N/N=C/C3=CC(=CC=C3)O |
Product Overview
AS-871/40777958 (CAS 315200-77-2), with molecular formula C18H16N4O2S3 and molecular weight 416.04 g/mol. IUPAC: 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of AS-871/40777958
Property Insights of AS-871/40777958
The XLogP value of 3.7784 indicates that AS-871/40777958 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.47 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/40777958. Following Lipinski's Rule of Five, AS-871/40777958 has 2 hydrogen bond donor(s) and 8 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 AS-871/40777958?
The CAS number of AS-871/40777958 is 315200-77-2.
What is the molecular formula of AS-871/40777958?
The molecular formula of AS-871/40777958 is C18H16N4O2S3.
What is the molecular weight of AS-871/40777958?
The molecular weight of AS-871/40777958 is 416.04 g/mol.
Where can I buy AS-871/40777958?
You can request a quote for AS-871/40777958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/40777958?
Yes, KEHONG BIO provides custom synthesis services for AS-871/40777958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.