4-Methoxy-3-nitrobenzyl carbamimidothioate
TL;DR: 4-Methoxy-3-nitrobenzyl carbamimidothioate (CAS 21692-36-4) is a chemical compound with molecular formula C9H11N3O3S and molecular weight 241.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxy-3-nitrophenyl)methyl carbamimidothioate
Also Known As: 4-methoxy-3-nitrobenzyl carbamimidothioate, [3-nitro-4-(methyloxy)phenyl]methyl imidothiocarbamate, (4-methoxy-3-nitrophenyl)methyl carbamimidothioate
| Molecular Formula | C9H11N3O3S |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | 1.73007 |
| Topological Polar Surface Area | 102.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.05211 |
| Heavy Atoms | 16 |
| Complexity | 422.46027 |
Chemical Identifiers
| CAS Number | 21692-36-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSC(=N)N)[N+](=O)[O-] |
Product Overview
4-Methoxy-3-nitrobenzyl carbamimidothioate (CAS 21692-36-4), with molecular formula C9H11N3O3S and molecular weight 241.05 g/mol. IUPAC: (4-methoxy-3-nitrophenyl)methyl carbamimidothioate.
Chemical Property Profile of 4-Methoxy-3-nitrobenzyl carbamimidothioate
Property Insights of 4-Methoxy-3-nitrobenzyl carbamimidothioate
The XLogP value of 1.73007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3-nitrobenzyl carbamimidothioate. The TPSA of 102.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-3-nitrobenzyl carbamimidothioate. Following Lipinski's Rule of Five, 4-Methoxy-3-nitrobenzyl carbamimidothioate has 2 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 4-Methoxy-3-nitrobenzyl carbamimidothioate?
The CAS number of 4-Methoxy-3-nitrobenzyl carbamimidothioate is 21692-36-4.
What is the molecular formula of 4-Methoxy-3-nitrobenzyl carbamimidothioate?
The molecular formula of 4-Methoxy-3-nitrobenzyl carbamimidothioate is C9H11N3O3S.
What is the molecular weight of 4-Methoxy-3-nitrobenzyl carbamimidothioate?
The molecular weight of 4-Methoxy-3-nitrobenzyl carbamimidothioate is 241.05 g/mol.
Where can I buy 4-Methoxy-3-nitrobenzyl carbamimidothioate?
You can request a quote for 4-Methoxy-3-nitrobenzyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-3-nitrobenzyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-nitrobenzyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.