![Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate structure](/static/products/714/714930-00-4.png)
Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate
TL;DR: Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate (CAS 714930-00-4) is a chemical compound with molecular formula C10H8ClN3O5S and molecular weight 316.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate
Also Known As: ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate, ethyl 2-((7-chloro-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)thio)acetate, ethyl 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate
| Molecular Formula | C10H8ClN3O5S |
|---|---|
| Molecular Weight | 316.99 g/mol |
| LogP | 2.4396 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.9873 |
| Heavy Atoms | 20 |
| Complexity | 674.20197 |
Chemical Identifiers
| CAS Number | 714930-00-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-] |
Product Overview
Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate (CAS 714930-00-4), with molecular formula C10H8ClN3O5S and molecular weight 316.99 g/mol. IUPAC: ethyl 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate
Property Insights of Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate
The XLogP value of 2.4396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate. The TPSA of 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate has 0 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 Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate?
The CAS number of Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate is 714930-00-4.
What is the molecular formula of Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate?
The molecular formula of Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate is C10H8ClN3O5S.
What is the molecular weight of Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate?
The molecular weight of Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate is 316.99 g/mol.
Where can I buy Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate?
You can request a quote for Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.