3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde
TL;DR: 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde (CAS 69054-34-8) is a chemical compound with molecular formula C13H9NO3S and molecular weight 259.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-phenylsulfanylbenzaldehyde
Also Known As: 3-nitro-4-(phenylthio)benzaldehyde, 3-nitro-4-(phenylsulfanyl)benzenecarbaldehyde, 3-Nitro-4-(phenylsulfanyl)benzaldehyde, 3-nitro-4-phenylthiobenzaldehyde, 3-nitro-4-phenylsulfanylbenzaldehyde
| Molecular Formula | C13H9NO3S |
|---|---|
| Molecular Weight | 259.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0303 |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 69054-34-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C=C(C=C2)C=O)[N+](=O)[O-] |
| InChIKey | ATBVFIKZUSBTDE-UHFFFAOYSA-N |
Product Overview
3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde (CAS 69054-34-8), with molecular formula C13H9NO3S and molecular weight 259.03 g/mol. IUPAC: 3-nitro-4-phenylsulfanylbenzaldehyde.
Chemical Property Profile of 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde
Property Insights of 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde
The XLogP value of 3.4 indicates that 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde. Following Lipinski's Rule of Five, 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde has 0 hydrogen bond donor(s) and 4 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 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde?
The CAS number of 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde is 69054-34-8.
What is the molecular formula of 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde?
The molecular formula of 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde is C13H9NO3S.
What is the molecular weight of 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde?
The molecular weight of 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde is 259.03 g/mol.
Where can I buy 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde?
You can request a quote for 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-(phenylsulfanyl)benzenecarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.