4-Amidino-2-nitrophenyl 4'-anisate
TL;DR: 4-Amidino-2-nitrophenyl 4'-anisate (CAS 105452-15-1) is a chemical compound with molecular formula C15H13N3O5 and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-carbamimidoyl-2-nitrophenyl) 4-methoxybenzoate
Also Known As: APNAN, 4-Amidino-2-nitrophenyl 4'-anisate, 4-amidino-2-nitrophenyl 4/'-anisate, (4-carbamimidoyl-2-nitrophenyl) 4-methoxybenzoate, (2S)-Hydroxy(4-methylphenyl)acetonitrile
| Molecular Formula | C15H13N3O5 |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.0855 |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 105452-15-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=N)N)[N+](=O)[O-] |
| InChIKey | PLBOHMPHGWUZAF-UHFFFAOYSA-N |
Product Overview
4-Amidino-2-nitrophenyl 4'-anisate (CAS 105452-15-1), with molecular formula C15H13N3O5 and molecular weight 315.09 g/mol. IUPAC: (4-carbamimidoyl-2-nitrophenyl) 4-methoxybenzoate.
Chemical Property Profile of 4-Amidino-2-nitrophenyl 4'-anisate
Property Insights of 4-Amidino-2-nitrophenyl 4'-anisate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amidino-2-nitrophenyl 4'-anisate. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amidino-2-nitrophenyl 4'-anisate. Following Lipinski's Rule of Five, 4-Amidino-2-nitrophenyl 4'-anisate has 2 hydrogen bond donor(s) and 6 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-Amidino-2-nitrophenyl 4'-anisate?
The CAS number of 4-Amidino-2-nitrophenyl 4'-anisate is 105452-15-1.
What is the molecular formula of 4-Amidino-2-nitrophenyl 4'-anisate?
The molecular formula of 4-Amidino-2-nitrophenyl 4'-anisate is C15H13N3O5.
What is the molecular weight of 4-Amidino-2-nitrophenyl 4'-anisate?
The molecular weight of 4-Amidino-2-nitrophenyl 4'-anisate is 315.09 g/mol.
Where can I buy 4-Amidino-2-nitrophenyl 4'-anisate?
You can request a quote for 4-Amidino-2-nitrophenyl 4'-anisate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amidino-2-nitrophenyl 4'-anisate?
Yes, KEHONG BIO provides custom synthesis services for 4-Amidino-2-nitrophenyl 4'-anisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.