ChemDiv3_007356
TL;DR: ChemDiv3_007356 (CAS 714214-53-6) is a chemical compound with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2,4,6,8-tetrahydro-1H-quinazolin-5-one
Also Known As: ChemDiv3_007356, IDI1_025266, 3-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2,3,4,6,7,8-hexahydro-5(1H)-quinazolinone, BRD-K52124086-001-01-5, 3-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one
| Molecular Formula | C18H22N2O3 |
|---|---|
| Molecular Weight | 314.16 g/mol |
| LogP | 2.4212 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.16306 |
| Heavy Atoms | 23 |
| Complexity | 693.50714 |
Chemical Identifiers
| CAS Number | 714214-53-6 |
|---|---|
| SMILES | CC1(CC2=C(CN(CN2)CC3=CC4=C(C=C3)OCO4)C(=O)C1)C |
Product Overview
ChemDiv3_007356 (CAS 714214-53-6), with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2,4,6,8-tetrahydro-1H-quinazolin-5-one.
Chemical Property Profile of ChemDiv3_007356
Property Insights of ChemDiv3_007356
The XLogP value of 2.4212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_007356. With a topological polar surface area (TPSA) of 50.8 Ų, ChemDiv3_007356 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_007356 has 1 hydrogen bond donor(s) and 5 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 ChemDiv3_007356?
The CAS number of ChemDiv3_007356 is 714214-53-6.
What is the molecular formula of ChemDiv3_007356?
The molecular formula of ChemDiv3_007356 is C18H22N2O3.
What is the molecular weight of ChemDiv3_007356?
The molecular weight of ChemDiv3_007356 is 314.16 g/mol.
Where can I buy ChemDiv3_007356?
You can request a quote for ChemDiv3_007356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007356?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.