![2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid structure](/static/products/2948/294853-40-0.webp)
2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid
TL;DR: 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid (CAS 294853-40-0) is a chemical compound with molecular formula C12H9N3O5S2 and molecular weight 339.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
Also Known As: 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid, 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid, 2-{[5-(2H-1,3-benzodioxole-5-amido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetic acid, 2-[[5-(benzo[1,3]dioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic Acid, 2-{[5-(2H-1,3-benzodioxole-5-amido)-1,3,4-thiadiazol-2-yl]sulfanyl}aceticacid
| Molecular Formula | C12H9N3O5S2 |
|---|---|
| Molecular Weight | 339.00 g/mol |
| LogP | 1.6958 |
| Topological Polar Surface Area | 110.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.99835 |
| Heavy Atoms | 22 |
| Complexity | 733.3019 |
Chemical Identifiers
| CAS Number | 294853-40-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)O |
Product Overview
2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid (CAS 294853-40-0), with molecular formula C12H9N3O5S2 and molecular weight 339.00 g/mol. IUPAC: 2-[[5-(1,3-benzodioxole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid
Property Insights of 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid
The XLogP value of 1.6958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid. The TPSA of 110.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid has 2 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 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid?
The CAS number of 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid is 294853-40-0.
What is the molecular formula of 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid?
The molecular formula of 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid is C12H9N3O5S2.
What is the molecular weight of 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid?
The molecular weight of 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid is 339.00 g/mol.
Where can I buy 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid?
You can request a quote for 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.