ChemDiv3_007238
TL;DR: ChemDiv3_007238 (CAS 846599-91-5) is a chemical compound with molecular formula C17H22F6N2O and molecular weight 384.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one
Also Known As: ChemDiv3_007238, IDI1_025148, AB01317777-02, BRD-K35391121-001-01-9, 1-butyl-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
| Molecular Formula | C17H22F6N2O |
|---|---|
| Molecular Weight | 384.16 g/mol |
| LogP | 5.0271 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.16364 |
| Heavy Atoms | 26 |
| Complexity | 643.1447 |
Chemical Identifiers
| CAS Number | 846599-91-5 |
|---|---|
| SMILES | CCCCN1C(=NC(C2=C1CC(CC2=O)(C)C)(C(F)(F)F)C(F)(F)F)C |
Product Overview
ChemDiv3_007238 (CAS 846599-91-5), with molecular formula C17H22F6N2O and molecular weight 384.16 g/mol. IUPAC: 1-butyl-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one.
Chemical Property Profile of ChemDiv3_007238
Property Insights of ChemDiv3_007238
The XLogP value of 5.0271 indicates that ChemDiv3_007238 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, ChemDiv3_007238 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_007238 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_007238?
The CAS number of ChemDiv3_007238 is 846599-91-5.
What is the molecular formula of ChemDiv3_007238?
The molecular formula of ChemDiv3_007238 is C17H22F6N2O.
What is the molecular weight of ChemDiv3_007238?
The molecular weight of ChemDiv3_007238 is 384.16 g/mol.
Where can I buy ChemDiv3_007238?
You can request a quote for ChemDiv3_007238 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007238?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007238 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.