双己酰过氧化物
TL;DR: 双己酰过氧化物 (CAS 700-07-2) is a chemical compound with molecular formula C8H8N2S and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双己酰过氧化物
N-methyl-2,1-benzothiazol-3-amine
Also Known As: Bishexanoyl peroxide, 3-(Methylamino)-2,1-benzisothiazole, N-Methyl-2,1-benzisothiazol-3-amine, N-methyl-2,1-benzothiazol-3-amine, 2,1-Benzisothiazole, 3-(methylamino)-
| Molecular Formula | C8H8N2S |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.04082 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 700-07-2 |
|---|---|
| SMILES | CNC1=C2C=CC=CC2=NS1 |
| InChIKey | ARUJVDNZYGIUGB-UHFFFAOYSA-N |
Product Overview
双己酰过氧化物 (CAS 700-07-2), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: N-methyl-2,1-benzothiazol-3-amine.
Chemical Property Profile of 双己酰过氧化物
Property Insights of 双己酰过氧化物
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双己酰过氧化物. With a topological polar surface area (TPSA) of 53.2 Ų, 双己酰过氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双己酰过氧化物 has 1 hydrogen bond donor(s) and 3 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 双己酰过氧化物?
The CAS number of 双己酰过氧化物 is 700-07-2.
What is the molecular formula of 双己酰过氧化物?
The molecular formula of 双己酰过氧化物 is C8H8N2S.
What is the molecular weight of 双己酰过氧化物?
The molecular weight of 双己酰过氧化物 is 164.04 g/mol.
Where can I buy 双己酰过氧化物?
You can request a quote for 双己酰过氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双己酰过氧化物?
Yes, KEHONG BIO provides custom synthesis services for 双己酰过氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.