Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate
TL;DR: Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate (CAS 352317-58-9) is a chemical compound with molecular formula C12H7ClF6N2O2 and molecular weight 360.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-chloro-2,4-bis(trifluoromethyl)-1H-quinazoline-4-carboxylate
Also Known As: methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate, methyl 6-chloro-2,4-bis(trifluoromethyl)-1H-quinazoline-4-carboxylate, 6-Chloro-2,4-bis-trifluoromethyl-3,4-dihydro-quinazoline-4-carboxylic acid methyl ester, Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydro-4-quinazolinecarboxylate, Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydro-4-quinazolinecarboxylate #
| Molecular Formula | C12H7ClF6N2O2 |
|---|---|
| Molecular Weight | 360.01 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.01 |
| Heavy Atoms | 23 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 352317-58-9 |
|---|---|
| SMILES | COC(=O)C1(C2=C(C=CC(=C2)Cl)NC(=N1)C(F)(F)F)C(F)(F)F |
| InChIKey | VCYTYUCPTMZZIG-UHFFFAOYSA-N |
Product Overview
Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate (CAS 352317-58-9), with molecular formula C12H7ClF6N2O2 and molecular weight 360.01 g/mol. IUPAC: methyl 6-chloro-2,4-bis(trifluoromethyl)-1H-quinazoline-4-carboxylate.
Chemical Property Profile of Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate
Property Insights of Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate
The XLogP value of 3.5 indicates that Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate has 1 hydrogen bond donor(s) and 9 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 Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate?
The CAS number of Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate is 352317-58-9.
What is the molecular formula of Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate?
The molecular formula of Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate is C12H7ClF6N2O2.
What is the molecular weight of Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate?
The molecular weight of Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate is 360.01 g/mol.
Where can I buy Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate?
You can request a quote for Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-chloro-2,4-bis(trifluoromethyl)-3,4-dihydroquinazoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.