ChemDiv1_005472
TL;DR: ChemDiv1_005472 (CAS 5903-59-3) is a chemical compound with molecular formula C17H20Cl2N8O and molecular weight 422.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-3-(3,4-dichlorophenyl)-2-imino-5-methylimidazolidin-4-one
Also Known As: ChemDiv1_005472, BAS 01258486, BIM-0014136.P001, 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-3-(3,4-dichlorophenyl)-2-imino-5-methylimidazolidin-4-one, 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-3-(3,4-dichlorophenyl)-2-imino-5-methyl-4-imidazolidinone
| Molecular Formula | C17H20Cl2N8O |
|---|---|
| Molecular Weight | 422.11 g/mol |
| LogP | 2.48687 |
| Topological Polar Surface Area | 92.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.1137 |
| Heavy Atoms | 28 |
| Complexity | 922.49976 |
Chemical Identifiers
| CAS Number | 5903-59-3 |
|---|---|
| SMILES | CC1C(=O)N(C(=N)N1C2=NC(=NC(=N2)N(C)C)N(C)C)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
ChemDiv1_005472 (CAS 5903-59-3), with molecular formula C17H20Cl2N8O and molecular weight 422.11 g/mol. IUPAC: 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-3-(3,4-dichlorophenyl)-2-imino-5-methylimidazolidin-4-one.
Chemical Property Profile of ChemDiv1_005472
Property Insights of ChemDiv1_005472
The XLogP value of 2.48687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005472. The TPSA of 92.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005472. Following Lipinski's Rule of Five, ChemDiv1_005472 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_005472?
The CAS number of ChemDiv1_005472 is 5903-59-3.
What is the molecular formula of ChemDiv1_005472?
The molecular formula of ChemDiv1_005472 is C17H20Cl2N8O.
What is the molecular weight of ChemDiv1_005472?
The molecular weight of ChemDiv1_005472 is 422.11 g/mol.
Where can I buy ChemDiv1_005472?
You can request a quote for ChemDiv1_005472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005472?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.