牡荆素
TL;DR: 牡荆素 (CAS 3681-93-4) is a chemical compound with molecular formula C10H12N2O3S and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
牡荆素
4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline
Also Known As: 4-methoxy-N-[1-(methylsulfanyl)-2-nitrovinyl]aniline, methylsulfanylnitrovinylaminophenylethanone, 4-methoxy-N-[(Z)-1-(methylsulfanyl)-2-nitroethenyl]aniline, J2.181.876C, 1-(p-Anisidino)-1-methylmercapto-2-nitroaethen
| Molecular Formula | C10H12N2O3S |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 2.5457 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.05687 |
| Heavy Atoms | 16 |
| Complexity | 389.55554 |
Chemical Identifiers
| CAS Number | 3681-93-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N/C(=C/[N+](=O)[O-])/SC |
Product Overview
牡荆素 (CAS 3681-93-4), with molecular formula C10H12N2O3S and molecular weight 240.06 g/mol. IUPAC: 4-methoxy-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]aniline.
Chemical Property Profile of 牡荆素
Property Insights of 牡荆素
The XLogP value of 2.5457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 牡荆素. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 牡荆素. Following Lipinski's Rule of Five, 牡荆素 has 1 hydrogen bond donor(s) and 5 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 牡荆素?
The CAS number of 牡荆素 is 3681-93-4.
What is the molecular formula of 牡荆素?
The molecular formula of 牡荆素 is C10H12N2O3S.
What is the molecular weight of 牡荆素?
The molecular weight of 牡荆素 is 240.06 g/mol.
Where can I buy 牡荆素?
You can request a quote for 牡荆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 牡荆素?
Yes, KEHONG BIO provides custom synthesis services for 牡荆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.