![[(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid structure](/static/products/1833/18333-81-8.webp)
[(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid
TL;DR: [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid (CAS 18333-81-8) is a chemical compound with molecular formula C8H5N3O5S and molecular weight 255.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]acetic acid
Also Known As: [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid|2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]acetic acid|2-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)acetic acid|acetic acid, [(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]-|[(7-NITRO-2,1,3-BENZOXADIAZOL-4-YL)SULFANYL]ACETIC ACID|(7-nitro-benzo[1,2,5]oxadiazol-4-ylsulfanyl)-acetic acid|2-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid|2-[(5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-yl)sulfanyl]acetic Acid|MFCD02089316|ALBB-020699
| Molecular Formula | C8H5N3O5S |
|---|---|
| Molecular Weight | 255.00 g/mol |
| LogP | 1.3077 |
| Topological Polar Surface Area | 119.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.995 |
| Heavy Atoms | 17 |
| Complexity | 595.8582 |
Chemical Identifiers
| CAS Number | 18333-81-8 |
|---|---|
| SMILES | C1=C(C2=NON=C2C(=C1)SCC(=O)O)[N+](=O)[O-] |
Product Overview
[(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid (CAS 18333-81-8), with molecular formula C8H5N3O5S and molecular weight 255.00 g/mol. IUPAC: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid
Property Insights of [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid
The XLogP value of 1.3077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid. The TPSA of 119.36 Ų falls within the moderate polarity range, balancing permeability and solubility for [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid has 1 hydrogen bond donor(s) and 7 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 [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid?
The CAS number of [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid is 18333-81-8.
What is the molecular formula of [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid?
The molecular formula of [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid is C8H5N3O5S.
What is the molecular weight of [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid?
The molecular weight of [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid is 255.00 g/mol.
Where can I buy [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid?
You can request a quote for [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(7-Nitro-2,1,3-benzoxadiazol-4-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.