![N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide structure](/static/products/6766/676641-85-3.webp)
N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide
TL;DR: N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide (CAS 676641-85-3) is a chemical compound with molecular formula C13H16N6O5S and molecular weight 368.09 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]-3-(tetrazol-1-yl)propanamide
Also Known As: N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide, N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitro-phenyl]-3-(tetrazol-1-yl)propanamide, N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-3-(1H-tetrazol-1-yl)propanamide, N-{3-[(2,3-DIHYDROXYPROPYL)SULFANYL]-5-NITROPHENYL}-3-(1H-1,2,3,4-TETRAAZOL-1-YL)PROPANAMIDE
| Molecular Formula | C13H16N6O5S |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 0.0554 |
| Topological Polar Surface Area | 156.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 368.0903 |
| Heavy Atoms | 25 |
| Complexity | 725.7046 |
Chemical Identifiers
| CAS Number | 676641-85-3 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])SCC(CO)O)NC(=O)CCN2C=NN=N2 |
Product Overview
N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide (CAS 676641-85-3), with molecular formula C13H16N6O5S and molecular weight 368.09 g/mol. IUPAC: N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide.
Chemical Property Profile of N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide
Property Insights of N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide
The XLogP value of 0.0554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide. The TPSA of 156.3 Ų indicates high polarity, suggesting N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide 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-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide?
The CAS number of N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide is 676641-85-3.
What is the molecular formula of N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide?
The molecular formula of N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide is C13H16N6O5S.
What is the molecular weight of N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide?
The molecular weight of N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide is 368.09 g/mol.
Where can I buy N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide?
You can request a quote for N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide 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-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.