AS-871/42707555
TL;DR: AS-871/42707555 (CAS 701971-86-0) is a chemical compound with molecular formula C19H15N5O5S2 and molecular weight 457.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]-4-methyl-3-nitrobenzenesulfonamide
Also Known As: AS-871/42707555, N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]-4-methyl-3-nitrobenzenesulfonamide, 3-nitro-N-[4-hydroxy-3-(1H-1,2,4-triazol-3-ylsulfanyl)-1-naphthyl]-4-methylbenzenesulfonamide, N-[4-hydroxy-3-(2H-1,2,4-triazol-3-ylsulfanyl)naphthalen-1-yl]-4-methyl-3-nitro-benzenesulfonamide
| Molecular Formula | C19H15N5O5S2 |
|---|---|
| Molecular Weight | 457.05 g/mol |
| LogP | 3.83212 |
| Topological Polar Surface Area | 151.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.05145 |
| Heavy Atoms | 31 |
| Complexity | 1404.9884 |
Chemical Identifiers
| CAS Number | 701971-86-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=NC=NN4)[N+](=O)[O-] |
Product Overview
AS-871/42707555 (CAS 701971-86-0), with molecular formula C19H15N5O5S2 and molecular weight 457.05 g/mol. IUPAC: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]-4-methyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of AS-871/42707555
Property Insights of AS-871/42707555
The XLogP value of 3.83212 indicates that AS-871/42707555 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.11 Ų indicates high polarity, suggesting AS-871/42707555 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AS-871/42707555 has 3 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-871/42707555?
The CAS number of AS-871/42707555 is 701971-86-0.
What is the molecular formula of AS-871/42707555?
The molecular formula of AS-871/42707555 is C19H15N5O5S2.
What is the molecular weight of AS-871/42707555?
The molecular weight of AS-871/42707555 is 457.05 g/mol.
Where can I buy AS-871/42707555?
You can request a quote for AS-871/42707555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42707555?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42707555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.