1-(Diaminomethylidene)-3-naphthalen-2-ylurea
TL;DR: 1-(Diaminomethylidene)-3-naphthalen-2-ylurea (CAS 100517-72-4) is a chemical compound with molecular formula C12H12N4O and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylidene)-3-naphthalen-2-ylurea
Also Known As: N-carbamimidoyl-N'-[2]naphthyl-urea, 1-(diaminomethylidene)-3-naphthalen-2-ylurea
| Molecular Formula | C12H12N4O |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.1011 |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 100517-72-4 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)NC(=O)N=C(N)N |
| InChIKey | HVIUPMKIDKNVFO-UHFFFAOYSA-N |
Product Overview
1-(Diaminomethylidene)-3-naphthalen-2-ylurea (CAS 100517-72-4), with molecular formula C12H12N4O and molecular weight 228.10 g/mol. IUPAC: 1-(diaminomethylidene)-3-naphthalen-2-ylurea.
Chemical Property Profile of 1-(Diaminomethylidene)-3-naphthalen-2-ylurea
Property Insights of 1-(Diaminomethylidene)-3-naphthalen-2-ylurea
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Diaminomethylidene)-3-naphthalen-2-ylurea. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Diaminomethylidene)-3-naphthalen-2-ylurea. Following Lipinski's Rule of Five, 1-(Diaminomethylidene)-3-naphthalen-2-ylurea has 3 hydrogen bond donor(s) and 1 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 1-(Diaminomethylidene)-3-naphthalen-2-ylurea?
The CAS number of 1-(Diaminomethylidene)-3-naphthalen-2-ylurea is 100517-72-4.
What is the molecular formula of 1-(Diaminomethylidene)-3-naphthalen-2-ylurea?
The molecular formula of 1-(Diaminomethylidene)-3-naphthalen-2-ylurea is C12H12N4O.
What is the molecular weight of 1-(Diaminomethylidene)-3-naphthalen-2-ylurea?
The molecular weight of 1-(Diaminomethylidene)-3-naphthalen-2-ylurea is 228.10 g/mol.
Where can I buy 1-(Diaminomethylidene)-3-naphthalen-2-ylurea?
You can request a quote for 1-(Diaminomethylidene)-3-naphthalen-2-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Diaminomethylidene)-3-naphthalen-2-ylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Diaminomethylidene)-3-naphthalen-2-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.