松二糖
TL;DR: 松二糖 (CAS 547-25-1) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
松二糖
4-methyl-N-[(5-nitrothiophen-2-yl)methyl]aniline
Also Known As: 4-methyl-n-[(5-nitrothiophen-2-yl)methyl]aniline, (4-methylphenyl)[(5-nitro-2-thienyl)methyl]amine, (5-nitro-2-thienyl)methyl-(p-tolyl)amine, 4-Methyl-N-[(5-nitro-2-thienyl)methyl]aniline, 4-methyl-N-[(5-nitro-2-thiophenyl)methyl]aniline
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 547-25-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCC2=CC=C(S2)[N+](=O)[O-] |
| InChIKey | REJVHXYMOQINDA-UHFFFAOYSA-N |
Product Overview
松二糖 (CAS 547-25-1), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 4-methyl-N-[(5-nitrothiophen-2-yl)methyl]aniline.
Chemical Property Profile of 松二糖
Property Insights of 松二糖
The XLogP value of 3.6 indicates that 松二糖 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 松二糖. Following Lipinski's Rule of Five, 松二糖 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 松二糖?
The CAS number of 松二糖 is 547-25-1.
What is the molecular formula of 松二糖?
The molecular formula of 松二糖 is C12H12N2O2S.
What is the molecular weight of 松二糖?
The molecular weight of 松二糖 is 248.06 g/mol.
Where can I buy 松二糖?
You can request a quote for 松二糖 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 松二糖?
Yes, KEHONG BIO provides custom synthesis services for 松二糖 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.