3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine
TL;DR: 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine (CAS 23604-33-3) is a chemical compound with molecular formula C23H23N5O5 and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]-1-(4-nitrophenyl)urea
Also Known As: Cid 152646, 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine, 3-(m-(p-Nitrophenylureido)phenoxypropoxy)benzamidine, m-(m-(p-Nitrophenylureido)phenoxypropoxy)benzamidine, 1-[3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]-1-(4-nitrophenyl)urea
| Molecular Formula | C23H23N5O5 |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.16992 |
| Heavy Atoms | 33 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 23604-33-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCCCOC2=CC=CC(=C2)N(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N)C(=N)N |
| InChIKey | XUXSLXLOSZGJLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine (CAS 23604-33-3), with molecular formula C23H23N5O5 and molecular weight 449.17 g/mol. IUPAC: 1-[3-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]-1-(4-nitrophenyl)urea.
Chemical Property Profile of 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine
Property Insights of 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine
The XLogP value of 3.1 indicates that 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine has 3 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 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine?
The CAS number of 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine is 23604-33-3.
What is the molecular formula of 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine?
The molecular formula of 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine is C23H23N5O5.
What is the molecular weight of 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine?
The molecular weight of 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine is 449.17 g/mol.
Where can I buy 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine?
You can request a quote for 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(4-Nitrophenylureido)phenoxypropoxy)benzamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.