![Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine structure](/static/products/5212/52128-16-2.webp)
Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine
TL;DR: Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine (CAS 52128-16-2) is a chemical compound with molecular formula C17H17Cl2N5O2 and molecular weight 393.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine
Also Known As: acetic acid,6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-d, acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine, Acetic acid--6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine (1/1), acetic acid; 6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine
| Molecular Formula | C17H17Cl2N5O2 |
|---|---|
| Molecular Weight | 393.08 g/mol |
| LogP | 3.804 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.07593 |
| Heavy Atoms | 26 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 52128-16-2 |
|---|---|
| SMILES | CC(=O)O.C1=CC2=C(C=C1CNC3=CC(=C(C=C3)Cl)Cl)C(=NC(=N2)N)N |
| InChIKey | AFPICYPZQDYTKK-UHFFFAOYSA-N |
Product Overview
Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine (CAS 52128-16-2), with molecular formula C17H17Cl2N5O2 and molecular weight 393.08 g/mol. IUPAC: acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine.
Chemical Property Profile of Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine
Property Insights of Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine
The XLogP value of 3.804 indicates that Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine. Following Lipinski's Rule of Five, Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine has 4 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 Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine?
The CAS number of Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine is 52128-16-2.
What is the molecular formula of Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine?
The molecular formula of Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine is C17H17Cl2N5O2.
What is the molecular weight of Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine?
The molecular weight of Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine is 393.08 g/mol.
Where can I buy Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine?
You can request a quote for Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.