ASN 13828217
TL;DR: ASN 13828217 (CAS 880076-60-8) is a chemical compound with molecular formula C23H29N7O and molecular weight 419.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide
Also Known As: ASN 13828217, (E)-N-(((2-(1H-imidazol-4-yl)ethyl)amino)((4,6-dimethylpyrimidin-2-yl)amino)methylene)-4-(tert-butyl)benzamide, (2E)-1-[4-(tert-butyl)phenyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[(2-imid azol-4-ylethyl)amino]-2-azaprop-2-en-1-one, 4-tert-butyl-N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(1H-imidazol-4-yl)ethyl]amino}methylidene]benzamide, 4-tert-butyl-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide
| Molecular Formula | C23H29N7O |
|---|---|
| Molecular Weight | 419.24 g/mol |
| LogP | 3.55464 |
| Topological Polar Surface Area | 107.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.24335 |
| Heavy Atoms | 31 |
| Complexity | 1028.279 |
Chemical Identifiers
| CAS Number | 880076-60-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=NCCC2=CN=CN2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C |
Product Overview
ASN 13828217 (CAS 880076-60-8), with molecular formula C23H29N7O and molecular weight 419.24 g/mol. IUPAC: 4-tert-butyl-N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide.
Chemical Property Profile of ASN 13828217
Property Insights of ASN 13828217
The XLogP value of 3.55464 indicates that ASN 13828217 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 13828217. Following Lipinski's Rule of Five, ASN 13828217 has 3 hydrogen bond donor(s) and 5 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 ASN 13828217?
The CAS number of ASN 13828217 is 880076-60-8.
What is the molecular formula of ASN 13828217?
The molecular formula of ASN 13828217 is C23H29N7O.
What is the molecular weight of ASN 13828217?
The molecular weight of ASN 13828217 is 419.24 g/mol.
Where can I buy ASN 13828217?
You can request a quote for ASN 13828217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 13828217?
Yes, KEHONG BIO provides custom synthesis services for ASN 13828217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.