RefChem:283905
TL;DR: RefChem:283905 (CAS 75159-17-0) is a chemical compound with molecular formula C13H20Cl2N4O and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(propan-2-ylamino)methylamino]methyl]quinazolin-4-one;dihydrochloride
Also Known As: 4(3H)-Quinazolinone, 3-(((((1-methylethyl)amino)methyl)amino)methyl)-, dihydrochloride, 3-(((((1-Methylethyl)amino)methyl)amino)methyl)-4(3H)-quinazolinone dihydrochloride, 3-[[(propan-2-ylamino)methylamino]methyl]quinazolin-4-onedihydrochloride, 3-[[(propan-2-ylamino)methylamino]methyl]quinazolin-4-one dihydrochloride, 3-[({[(Propan-2-yl)amino]methyl}amino)methyl]quinazolin-4(3H)-one--hydrogen chloride (1/2)
| Molecular Formula | C13H20Cl2N4O |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 1.74 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.1014 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 75159-17-0 |
|---|---|
| SMILES | CC(C)NCNCN1C=NC2=CC=CC=C2C1=O.Cl.Cl |
| InChIKey | RMWRSNXRTSNVMZ-UHFFFAOYSA-N |
Product Overview
RefChem:283905 (CAS 75159-17-0), with molecular formula C13H20Cl2N4O and molecular weight 318.10 g/mol. IUPAC: 3-[[(propan-2-ylamino)methylamino]methyl]quinazolin-4-one;dihydrochloride.
Chemical Property Profile of RefChem:283905
Property Insights of RefChem:283905
The XLogP value of 1.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:283905. With a topological polar surface area (TPSA) of 56.7 Ų, RefChem:283905 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:283905 has 4 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 RefChem:283905?
The CAS number of RefChem:283905 is 75159-17-0.
What is the molecular formula of RefChem:283905?
The molecular formula of RefChem:283905 is C13H20Cl2N4O.
What is the molecular weight of RefChem:283905?
The molecular weight of RefChem:283905 is 318.10 g/mol.
Where can I buy RefChem:283905?
You can request a quote for RefChem:283905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283905?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.