RefChem:283910
TL;DR: RefChem:283910 (CAS 75159-27-2) is a chemical compound with molecular formula C16H17Cl3N4O and molecular weight 386.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(4-chloroanilino)methylamino]methyl]quinazolin-4-one;dihydrochloride
Also Known As: 4(3H)-Quinazolinone, 3-(((((4-chlorophenyl)amino)methyl)amino)methyl)-, dihydrochloride, 3-(((((4-Chlorophenyl)amino)methyl)amino)methyl)-4(3H)-quinazolinone dihydrochloride, 3-[[(4-chloroanilino)methylamino]methyl]quinazolin-4-one dihydrochloride, 3-({[(4-Chloroanilino)methyl]amino}methyl)quinazolin-4(3H)-one--hydrogen chloride (1/2), RefChem:283910
| Molecular Formula | C16H17Cl3N4O |
|---|---|
| Molecular Weight | 386.05 g/mol |
| LogP | 3.51 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.04678 |
| Heavy Atoms | 24 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 75159-27-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C=N2)CNCNC3=CC=C(C=C3)Cl.Cl.Cl |
| InChIKey | DIADMNOJMJXWJA-UHFFFAOYSA-N |
Product Overview
RefChem:283910 (CAS 75159-27-2), with molecular formula C16H17Cl3N4O and molecular weight 386.05 g/mol. IUPAC: 3-[[(4-chloroanilino)methylamino]methyl]quinazolin-4-one;dihydrochloride.
Chemical Property Profile of RefChem:283910
Property Insights of RefChem:283910
The XLogP value of 3.51 indicates that RefChem:283910 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.7 Ų, RefChem:283910 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:283910 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:283910?
The CAS number of RefChem:283910 is 75159-27-2.
What is the molecular formula of RefChem:283910?
The molecular formula of RefChem:283910 is C16H17Cl3N4O.
What is the molecular weight of RefChem:283910?
The molecular weight of RefChem:283910 is 386.05 g/mol.
Where can I buy RefChem:283910?
You can request a quote for RefChem:283910 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283910?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283910 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.