C066-3381
TL;DR: C066-3381 (CAS 896633-66-2) is a chemical compound with molecular formula C20H17F2N3O2 and molecular weight 369.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
Also Known As: C066-3381, N-(2,4-difluorophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide, N-(2,4-DIFLUOROPHENYL)-12-OXO-6H,7H,8H,9H,10H,12H-AZEPINO[2,1-B]QUINAZOLINE-3-CARBOXAMIDE, N-(2,4-difluorophenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
| Molecular Formula | C20H17F2N3O2 |
|---|---|
| Molecular Weight | 369.13 g/mol |
| LogP | 3.6534 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.12888 |
| Heavy Atoms | 27 |
| Complexity | 1108.3125 |
Chemical Identifiers
| CAS Number | 896633-66-2 |
|---|---|
| SMILES | C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C(=O)N2CC1 |
Product Overview
C066-3381 (CAS 896633-66-2), with molecular formula C20H17F2N3O2 and molecular weight 369.13 g/mol. IUPAC: N-(2,4-difluorophenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide.
Chemical Property Profile of C066-3381
Property Insights of C066-3381
The XLogP value of 3.6534 indicates that C066-3381 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for C066-3381. Following Lipinski's Rule of Five, C066-3381 has 1 hydrogen bond donor(s) and 3 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 C066-3381?
The CAS number of C066-3381 is 896633-66-2.
What is the molecular formula of C066-3381?
The molecular formula of C066-3381 is C20H17F2N3O2.
What is the molecular weight of C066-3381?
The molecular weight of C066-3381 is 369.13 g/mol.
Where can I buy C066-3381?
You can request a quote for C066-3381 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C066-3381?
Yes, KEHONG BIO provides custom synthesis services for C066-3381 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.