(Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate
TL;DR: (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate (CAS 876940-78-2) is a chemical compound with molecular formula C24H21NO4S and molecular weight 419.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenanthridin-6-ylmethyl 3-(4-methylphenyl)sulfonylpropanoate
Also Known As: (phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate, phenanthridin-6-ylmethyl 3-(4-methylphenyl)sulfonylpropanoate, phenanthridin-6-ylmethyl 3-[(4-methylphenyl)sulfonyl]propanoate
| Molecular Formula | C24H21NO4S |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 4.60362 |
| Topological Polar Surface Area | 73.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.11914 |
| Heavy Atoms | 30 |
| Complexity | 1328.6926 |
Chemical Identifiers
| CAS Number | 876940-78-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42 |
Product Overview
(Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate (CAS 876940-78-2), with molecular formula C24H21NO4S and molecular weight 419.12 g/mol. IUPAC: phenanthridin-6-ylmethyl 3-(4-methylphenyl)sulfonylpropanoate.
Chemical Property Profile of (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate
Property Insights of (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate
The XLogP value of 4.60362 indicates that (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate. Following Lipinski's Rule of Five, (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate has 0 hydrogen bond donor(s) and 5 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 (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate?
The CAS number of (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate is 876940-78-2.
What is the molecular formula of (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate?
The molecular formula of (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate is C24H21NO4S.
What is the molecular weight of (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate?
The molecular weight of (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate is 419.12 g/mol.
Where can I buy (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate?
You can request a quote for (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (Phenanthridin-6-yl)methyl 3-(4-methylbenzenesulfonyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.