![N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide structure](/static/products/4382/438229-63-1.webp)
N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide
TL;DR: N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide (CAS 438229-63-1) is a chemical compound with molecular formula C11H14N2O5S and molecular weight 286.06 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]acetamide
Also Known As: N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide, N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]acetamide, N-[5-(2,3-dihydroxypropylthio)-3-nitrophenyl]acetamide, N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitro-phenyl]acetamide
| Molecular Formula | C11H14N2O5S |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 0.9985 |
| Topological Polar Surface Area | 112.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.06235 |
| Heavy Atoms | 19 |
| Complexity | 480.15338 |
Chemical Identifiers
| CAS Number | 438229-63-1 |
|---|---|
| SMILES | CC(=O)NC1=CC(=CC(=C1)SCC(CO)O)[N+](=O)[O-] |
Product Overview
N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide (CAS 438229-63-1), with molecular formula C11H14N2O5S and molecular weight 286.06 g/mol. IUPAC: N-[3-(2,3-dihydroxypropylsulfanyl)-5-nitrophenyl]acetamide.
Chemical Property Profile of N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide
Property Insights of N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide
The XLogP value of 0.9985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide. The TPSA of 112.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide. Following Lipinski's Rule of Five, N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide has 3 hydrogen bond donor(s) and 6 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}acetamide?
The CAS number of N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide is 438229-63-1.
What is the molecular formula of N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide?
The molecular formula of N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide is C11H14N2O5S.
What is the molecular weight of N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide?
The molecular weight of N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide is 286.06 g/mol.
Where can I buy N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide?
You can request a quote for N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide 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}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.