Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)-
TL;DR: Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)- (CAS 23535-91-3) is a chemical compound with molecular formula C14H13N5O3S and molecular weight 331.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylidene)-3-[4-(4-nitrophenyl)sulfanylphenyl]urea
Also Known As: 1-amidino-3-[4-[thio]phenyl]urea, Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)-, 1-Amidino-3-(p-((p-nitrophenyl)thio)phenyl)urea, 1-Amidino-3-[4-[ thio]phenyl]urea, 3-Amidino-1-(p-((p-nitrophenyl)thio)phenyl)urea
| Molecular Formula | C14H13N5O3S |
|---|---|
| Molecular Weight | 331.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.0739 |
| Heavy Atoms | 23 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 23535-91-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)N=C(N)N)SC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ZTXKUIFTWTZGIV-UHFFFAOYSA-N |
Product Overview
Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)- (CAS 23535-91-3), with molecular formula C14H13N5O3S and molecular weight 331.07 g/mol. IUPAC: 1-(diaminomethylidene)-3-[4-(4-nitrophenyl)sulfanylphenyl]urea.
Chemical Property Profile of Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)-
Property Insights of Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)-. The TPSA of 165.0 Ų indicates high polarity, suggesting Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)- has 3 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 Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)-?
The CAS number of Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)- is 23535-91-3.
What is the molecular formula of Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)-?
The molecular formula of Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)- is C14H13N5O3S.
What is the molecular weight of Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)-?
The molecular weight of Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)- is 331.07 g/mol.
Where can I buy Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)-?
You can request a quote for Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-amidino-3-(p-((p-nitrophenyl)thio)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.