BAS 01809997
TL;DR: BAS 01809997 (CAS 315229-99-3) is a chemical compound with molecular formula C24H19ClN6O4S and molecular weight 522.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 01809997, N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, (E)-N'-(4-chloro-3-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N-[(1E)-2-(4-chloro-3-nitrophenyl)-1-azavinyl]-2-[5-(4-methoxyphenyl)-4-phenyl (1,2,4-triazol-3-ylthio)]acetamide, N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C24H19ClN6O4S |
|---|---|
| Molecular Weight | 522.09 g/mol |
| LogP | 4.7469 |
| Topological Polar Surface Area | 124.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 522.0877 |
| Heavy Atoms | 36 |
| Complexity | 1410.1412 |
Chemical Identifiers
| CAS Number | 315229-99-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC(=C(C=C4)Cl)[N+](=O)[O-] |
Product Overview
BAS 01809997 (CAS 315229-99-3), with molecular formula C24H19ClN6O4S and molecular weight 522.09 g/mol. IUPAC: N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 01809997
Property Insights of BAS 01809997
The XLogP value of 4.7469 indicates that BAS 01809997 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01809997. Following Lipinski's Rule of Five, BAS 01809997 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01809997?
The CAS number of BAS 01809997 is 315229-99-3.
What is the molecular formula of BAS 01809997?
The molecular formula of BAS 01809997 is C24H19ClN6O4S.
What is the molecular weight of BAS 01809997?
The molecular weight of BAS 01809997 is 522.09 g/mol.
Where can I buy BAS 01809997?
You can request a quote for BAS 01809997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01809997?
Yes, KEHONG BIO provides custom synthesis services for BAS 01809997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.