2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine
TL;DR: 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine (CAS 2740-52-5) is a chemical compound with molecular formula C7H7NO3S and molecular weight 185.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dioxo-3H-1,2λ6-benzoxathiol-5-amine
Also Known As: 2,2-dioxo-3H-1,2, PENTADECENYL-BUTANEDIOIC ACID, 3h-1,2-benzoxathiol-5-amine 2,2-dioxide, 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine, 2,2-dioxo-2
| Molecular Formula | C7H7NO3S |
|---|---|
| Molecular Weight | 185.01 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.01466 |
| Heavy Atoms | 12 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 2740-52-5 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)N)OS1(=O)=O |
| InChIKey | ARQSHNHFZZMLQD-UHFFFAOYSA-N |
Product Overview
2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine (CAS 2740-52-5), with molecular formula C7H7NO3S and molecular weight 185.01 g/mol. IUPAC: 2,2-dioxo-3H-1,2λ6-benzoxathiol-5-amine.
Chemical Property Profile of 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine
Property Insights of 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine. Following Lipinski's Rule of Five, 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine has 1 hydrogen bond donor(s) and 4 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 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine?
The CAS number of 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine is 2740-52-5.
What is the molecular formula of 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine?
The molecular formula of 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine is C7H7NO3S.
What is the molecular weight of 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine?
The molecular weight of 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine is 185.01 g/mol.
Where can I buy 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine?
You can request a quote for 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dioxo-3H-1,2lambda6-benzoxathiol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.