m-Aqdi
TL;DR: m-Aqdi (CAS 87764-57-6) is a chemical compound with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
m-Aqdi
N-(4-acridin-9-ylimino-3-methoxycyclohexa-2,5-dien-1-ylidene)methanesulfonamide
Also Known As: m-Aqdi, 3-(1-AMINOETHYL)BENZONITRILE, Methanesulfonamide,N-[4-(9-acridinylimino)-3-methoxy-2,5-cyclohexadien-1-ylidene]-, N-(4-acridin-9-ylimino-3-methoxycyclohexa-2,5-dien-1-ylidene)methanesulfonamide, N-[4-[(Acridin-9-yl)imino]-3-methoxy-2,5-cyclohexadien-1-ylidene]methanesulfonamide
| Molecular Formula | C21H17N3O3S |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.09906 |
| Heavy Atoms | 28 |
| Complexity | 800.0 |
Chemical Identifiers
| CAS Number | 87764-57-6 |
|---|---|
| SMILES | COC1=CC(=NS(=O)(=O)C)C=CC1=NC2=C3C=CC=CC3=NC4=CC=CC=C42 |
| InChIKey | GJTVPJRMTNFWEV-UHFFFAOYSA-N |
Product Overview
m-Aqdi (CAS 87764-57-6), with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol. IUPAC: N-(4-acridin-9-ylimino-3-methoxycyclohexa-2,5-dien-1-ylidene)methanesulfonamide.
Chemical Property Profile of m-Aqdi
Property Insights of m-Aqdi
The XLogP value of 3.5 indicates that m-Aqdi is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Aqdi. Following Lipinski's Rule of Five, m-Aqdi has 0 hydrogen bond donor(s) and 6 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 m-Aqdi?
The CAS number of m-Aqdi is 87764-57-6.
What is the molecular formula of m-Aqdi?
The molecular formula of m-Aqdi is C21H17N3O3S.
What is the molecular weight of m-Aqdi?
The molecular weight of m-Aqdi is 391.10 g/mol.
Where can I buy m-Aqdi?
You can request a quote for m-Aqdi directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Aqdi?
Yes, KEHONG BIO provides custom synthesis services for m-Aqdi and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.