Sigmoidin K
TL;DR: Sigmoidin K (CAS 158018-62-3) is a chemical compound with molecular formula C24H24N6O4S and molecular weight 492.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[ethyl-[[4-(4-nitrophenyl)sulfonylphenyl]methyl]amino]methyl]quinazoline-2,4-diamine
Also Known As: Sigmoidin K, AG 392, 2,4-Quinazolinediamine, 6-((ethyl((4-((4-nitrophenyl)sulfonyl)phenyl)methyl)amino)methyl)-, 6-[[ethyl-[[4-(4-nitrophenyl)sulfonylphenyl]methyl]amino]methyl]quinazoline-2,4-diamine, 2,4-Diamino-6-[ethyl[4-(4-nitrophenylsulfonyl)benzyl]aminomethyl]quinazoline
| Molecular Formula | C24H24N6O4S |
|---|---|
| Molecular Weight | 492.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.158 |
| Heavy Atoms | 35 |
| Complexity | 802.0 |
Chemical Identifiers
| CAS Number | 158018-62-3 |
|---|---|
| SMILES | CCN(CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)N=C(N=C4N)N |
| InChIKey | RHILSNIKHKKVCT-UHFFFAOYSA-N |
Product Overview
Sigmoidin K (CAS 158018-62-3), with molecular formula C24H24N6O4S and molecular weight 492.16 g/mol. IUPAC: 6-[[ethyl-[[4-(4-nitrophenyl)sulfonylphenyl]methyl]amino]methyl]quinazoline-2,4-diamine.
Chemical Property Profile of Sigmoidin K
Property Insights of Sigmoidin K
The XLogP value of 3.2 indicates that Sigmoidin K is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting Sigmoidin K may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sigmoidin K has 2 hydrogen bond donor(s) and 9 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 Sigmoidin K?
The CAS number of Sigmoidin K is 158018-62-3.
What is the molecular formula of Sigmoidin K?
The molecular formula of Sigmoidin K is C24H24N6O4S.
What is the molecular weight of Sigmoidin K?
The molecular weight of Sigmoidin K is 492.16 g/mol.
Where can I buy Sigmoidin K?
You can request a quote for Sigmoidin K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sigmoidin K?
Yes, KEHONG BIO provides custom synthesis services for Sigmoidin K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.