Amicarbalide
TL;DR: Amicarbalide (CAS 3459-96-9) is a chemical compound with molecular formula C15H16N6O and molecular weight 296.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(3-carbamimidoylphenyl)urea
Also Known As: Amicarbalide, Amicarbalida, Amicarbalidum, 3,3'-Diamidinocarbanilide, 1,3-bis(3-carbamimidoylphenyl)urea
| Molecular Formula | C15H16N6O |
|---|---|
| Molecular Weight | 296.14 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.13855 |
| Heavy Atoms | 22 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 3459-96-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=N)N)C(=N)N |
| InChIKey | KRUVSRGJKCHYMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amicarbalide (CAS 3459-96-9), with molecular formula C15H16N6O and molecular weight 296.14 g/mol. IUPAC: 1,3-bis(3-carbamimidoylphenyl)urea.
Chemical Property Profile of Amicarbalide
Property Insights of Amicarbalide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amicarbalide. The TPSA of 141.0 Ų indicates high polarity, suggesting Amicarbalide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amicarbalide has 6 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amicarbalide?
The CAS number of Amicarbalide is 3459-96-9.
What is the molecular formula of Amicarbalide?
The molecular formula of Amicarbalide is C15H16N6O.
What is the molecular weight of Amicarbalide?
The molecular weight of Amicarbalide is 296.14 g/mol.
Where can I buy Amicarbalide?
You can request a quote for Amicarbalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amicarbalide?
Yes, KEHONG BIO provides custom synthesis services for Amicarbalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.