![[4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone structure](/static/products/852/852301-66-7.png)
[4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone
TL;DR: [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone (CAS 852301-66-7) is a chemical compound with molecular formula C21H15N5O3S and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone
Also Known As: [4-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-3-nitro-phenyl]-phenyl-methanone|[4-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone|orb3135088
| Molecular Formula | C21H15N5O3S |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 4.26112 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.08957 |
| Heavy Atoms | 30 |
| Complexity | 1240.3927 |
Chemical Identifiers
| CAS Number | 852301-66-7 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NN=N2)SC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
[4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone (CAS 852301-66-7), with molecular formula C21H15N5O3S and molecular weight 417.09 g/mol. IUPAC: [4-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone.
Chemical Property Profile of [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone
Property Insights of [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone
The XLogP value of 4.26112 indicates that [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone. Following Lipinski's Rule of Five, [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone 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 [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone?
The CAS number of [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone is 852301-66-7.
What is the molecular formula of [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone?
The molecular formula of [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone is C21H15N5O3S.
What is the molecular weight of [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone?
The molecular weight of [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone is 417.09 g/mol.
Where can I buy [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone?
You can request a quote for [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone?
Yes, KEHONG BIO provides custom synthesis services for [4-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyl-3-nitrophenyl]-phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.