3N-345S
TL;DR: 3N-345S (CAS 478032-28-9) is a chemical compound with molecular formula C28H28N2O5S and molecular weight 504.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2,5-dimethoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-N-(4-methoxyphenyl)methanimine
Also Known As: 3N-345S, (1E)-1-[1-(2,5-dimethoxyphenyl)-5-(4-methanesulfonylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-(4-methoxyphenyl)methanimine, N-((E)-{1-(2,5-dimethoxyphenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}methylidene)-4-methoxyaniline, 1-[1-(2,5-dimethoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-N-(4-methoxyphenyl)methanimine, N-((E)-(1-(2,5-DIMETHOXYPHENYL)-2-METHYL-5-[4-(METHYLSULFONYL)PHENYL]-1H-PYRROL-3-YL)METHYLIDENE)-4-METHOXYANILINE
| Molecular Formula | C28H28N2O5S |
|---|---|
| Molecular Weight | 504.17 g/mol |
| LogP | 5.63262 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.1719 |
| Heavy Atoms | 36 |
| Complexity | 1503.0378 |
Chemical Identifiers
| CAS Number | 478032-28-9 |
|---|---|
| SMILES | CC1=C(C=C(N1C2=C(C=CC(=C2)OC)OC)C3=CC=C(C=C3)S(=O)(=O)C)C=NC4=CC=C(C=C4)OC |
Product Overview
3N-345S (CAS 478032-28-9), with molecular formula C28H28N2O5S and molecular weight 504.17 g/mol. IUPAC: 1-[1-(2,5-dimethoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-N-(4-methoxyphenyl)methanimine.
Chemical Property Profile of 3N-345S
Property Insights of 3N-345S
The XLogP value of 5.63262 indicates that 3N-345S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3N-345S. Following Lipinski's Rule of Five, 3N-345S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3N-345S?
The CAS number of 3N-345S is 478032-28-9.
What is the molecular formula of 3N-345S?
The molecular formula of 3N-345S is C28H28N2O5S.
What is the molecular weight of 3N-345S?
The molecular weight of 3N-345S is 504.17 g/mol.
Where can I buy 3N-345S?
You can request a quote for 3N-345S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3N-345S?
Yes, KEHONG BIO provides custom synthesis services for 3N-345S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.