![N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide structure](/static/products/4382/438232-81-6.webp)
N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide
TL;DR: N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide (CAS 438232-81-6) is a chemical compound with molecular formula C16H14N6O4S and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2-hydroxyethylsulfanyl)-5-nitrophenyl]-4-(tetrazol-1-yl)benzamide
Also Known As: N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide, N-[3-(2-hydroxyethylsulfanyl)-5-nitrophenyl]-4-(tetrazol-1-yl)benzamide, N-[3-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]-4-(tetrazol-1-yl)benzamide, N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetrazol-1-yl)benzamide, N-{3-[(2-HYDROXYETHYL)SULFANYL]-5-NITROPHENYL}-4-(1H-1,2,3,4-TETRAAZOL-1-YL)BENZAMIDE
| Molecular Formula | C16H14N6O4S |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 1.9072 |
| Topological Polar Surface Area | 136.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.0797 |
| Heavy Atoms | 27 |
| Complexity | 946.0542 |
Chemical Identifiers
| CAS Number | 438232-81-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)SCCO)[N+](=O)[O-])N3C=NN=N3 |
Product Overview
N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide (CAS 438232-81-6), with molecular formula C16H14N6O4S and molecular weight 386.08 g/mol. IUPAC: N-[3-(2-hydroxyethylsulfanyl)-5-nitrophenyl]-4-(tetrazol-1-yl)benzamide.
Chemical Property Profile of N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide
Property Insights of N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide
The XLogP value of 1.9072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide. The TPSA of 136.07 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide. Following Lipinski's Rule of Five, N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide has 2 hydrogen bond donor(s) and 8 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 N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide?
The CAS number of N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide is 438232-81-6.
What is the molecular formula of N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide?
The molecular formula of N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide is C16H14N6O4S.
What is the molecular weight of N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide?
The molecular weight of N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide is 386.08 g/mol.
Where can I buy N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide?
You can request a quote for N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.