![3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde structure](/static/products/4614/461439-08-7.webp)
3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde
TL;DR: 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde (CAS 461439-08-7) is a chemical compound with molecular formula C14H9N5O3S and molecular weight 327.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylbenzaldehyde
Also Known As: 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde, 3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylbenzaldehyde, 3-nitro-4-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzaldehyde, 3-Nitro-4-((1-phenyl-1H-tetrazol-5-yl)thio)benzaldehyde, 3-nitro-4-(1-phenyltetrazol-5-yl)sulfanyl-benzaldehyde
| Molecular Formula | C14H9N5O3S |
|---|---|
| Molecular Weight | 327.04 g/mol |
| LogP | 2.5342 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.0426 |
| Heavy Atoms | 23 |
| Complexity | 865.85913 |
Chemical Identifiers
| CAS Number | 461439-08-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-] |
Product Overview
3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde (CAS 461439-08-7), with molecular formula C14H9N5O3S and molecular weight 327.04 g/mol. IUPAC: 3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylbenzaldehyde.
Chemical Property Profile of 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde
Property Insights of 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde
The XLogP value of 2.5342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde. Following Lipinski's Rule of Five, 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde has 0 hydrogen bond donor(s) and 7 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-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde?
The CAS number of 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde is 461439-08-7.
What is the molecular formula of 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde?
The molecular formula of 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde is C14H9N5O3S.
What is the molecular weight of 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde?
The molecular weight of 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde is 327.04 g/mol.
Where can I buy 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde?
You can request a quote for 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde 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-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.