Pentyl ({2-nitrophenyl}sulfinyl)acetate
TL;DR: Pentyl ({2-nitrophenyl}sulfinyl)acetate (CAS 1008680-99-6) is a chemical compound with molecular formula C13H17NO5S and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-(2-nitrophenyl)sulfinylacetate
Also Known As: pentyl ({2-nitrophenyl}sulfinyl)acetate, pentyl 2-(2-nitrophenyl)sulfinylacetate, pentyl 2-[(2-nitrophenyl)sulfinyl]acetate, AS-871/41622261
| Molecular Formula | C13H17NO5S |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.4358 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 299.08273 |
| Heavy Atoms | 20 |
| Complexity | 503.28983 |
Chemical Identifiers
| CAS Number | 1008680-99-6 |
|---|---|
| SMILES | CCCCCOC(=O)CS(=O)C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
Pentyl ({2-nitrophenyl}sulfinyl)acetate (CAS 1008680-99-6), with molecular formula C13H17NO5S and molecular weight 299.08 g/mol. IUPAC: pentyl 2-(2-nitrophenyl)sulfinylacetate.
Chemical Property Profile of Pentyl ({2-nitrophenyl}sulfinyl)acetate
Property Insights of Pentyl ({2-nitrophenyl}sulfinyl)acetate
The XLogP value of 2.4358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl ({2-nitrophenyl}sulfinyl)acetate. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentyl ({2-nitrophenyl}sulfinyl)acetate. Following Lipinski's Rule of Five, Pentyl ({2-nitrophenyl}sulfinyl)acetate has 0 hydrogen bond donor(s) and 5 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 Pentyl ({2-nitrophenyl}sulfinyl)acetate?
The CAS number of Pentyl ({2-nitrophenyl}sulfinyl)acetate is 1008680-99-6.
What is the molecular formula of Pentyl ({2-nitrophenyl}sulfinyl)acetate?
The molecular formula of Pentyl ({2-nitrophenyl}sulfinyl)acetate is C13H17NO5S.
What is the molecular weight of Pentyl ({2-nitrophenyl}sulfinyl)acetate?
The molecular weight of Pentyl ({2-nitrophenyl}sulfinyl)acetate is 299.08 g/mol.
Where can I buy Pentyl ({2-nitrophenyl}sulfinyl)acetate?
You can request a quote for Pentyl ({2-nitrophenyl}sulfinyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl ({2-nitrophenyl}sulfinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl ({2-nitrophenyl}sulfinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.