![N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide structure](/static/products/4382/438236-40-9.webp)
N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide
TL;DR: N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide (CAS 438236-40-9) is a chemical compound with molecular formula C17H16N6O5S and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-4-(tetrazol-1-yl)benzamide
Also Known As: N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide, N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-4-(tetrazol-1-yl)benzamide, N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitro-phenyl]-4-(tetrazol-1-yl)benzamide, N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetrazol-1-yl)benzamide, N-{3-[(2,3-DIHYDROXYPROPYL)SULFANYL]-5-NITROPHENYL}-4-(1H-1,2,3,4-TETRAAZOL-1-YL)BENZAMIDE
| Molecular Formula | C17H16N6O5S |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 1.2681 |
| Topological Polar Surface Area | 156.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.0903 |
| Heavy Atoms | 29 |
| Complexity | 996.0579 |
Chemical Identifiers
| CAS Number | 438236-40-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)SCC(CO)O)[N+](=O)[O-])N3C=NN=N3 |
Product Overview
N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide (CAS 438236-40-9), with molecular formula C17H16N6O5S and molecular weight 416.09 g/mol. IUPAC: N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-4-(tetrazol-1-yl)benzamide.
Chemical Property Profile of N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide
Property Insights of N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide
The XLogP value of 1.2681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide. The TPSA of 156.3 Ų indicates high polarity, suggesting N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide has 3 hydrogen bond donor(s) and 9 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-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide?
The CAS number of N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide is 438236-40-9.
What is the molecular formula of N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide?
The molecular formula of N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide is C17H16N6O5S.
What is the molecular weight of N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide?
The molecular weight of N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide is 416.09 g/mol.
Where can I buy N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide?
You can request a quote for N-{3-[(2,3-dihydroxypropyl)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-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-4-(1H-tetraazol-1-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.