4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde
TL;DR: 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde (CAS 339276-48-1) is a chemical compound with molecular formula C14H11NO5S and molecular weight 305.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonylmethyl)-4-nitrobenzaldehyde
Also Known As: 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde, 4-nitro-3-[(phenylsulfonyl)methyl]benzenecarbaldehyde, 3-[(benzenesulfonyl)methyl]-4-nitrobenzaldehyde, 3-(benzenesulfonylmethyl)-4-nitrobenzaldehyde, 4-Nitro-3-[(phenylsulfonyl)methyl]-benzenecarbaldehyde
| Molecular Formula | C14H11NO5S |
|---|---|
| Molecular Weight | 305.04 g/mol |
| LogP | 2.3812 |
| Topological Polar Surface Area | 94.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.0358 |
| Heavy Atoms | 21 |
| Complexity | 784.2666 |
Chemical Identifiers
| CAS Number | 339276-48-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)C=O)[N+](=O)[O-] |
Product Overview
4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde (CAS 339276-48-1), with molecular formula C14H11NO5S and molecular weight 305.04 g/mol. IUPAC: 3-(benzenesulfonylmethyl)-4-nitrobenzaldehyde.
Chemical Property Profile of 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde
Property Insights of 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde
The XLogP value of 2.3812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde. The TPSA of 94.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde. Following Lipinski's Rule of Five, 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde 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 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde?
The CAS number of 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde is 339276-48-1.
What is the molecular formula of 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde?
The molecular formula of 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde is C14H11NO5S.
What is the molecular weight of 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde?
The molecular weight of 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde is 305.04 g/mol.
Where can I buy 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde?
You can request a quote for 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-3-((phenylsulfonyl)methyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.