ChemDiv1_003843
TL;DR: ChemDiv1_003843 (CAS 406914-94-1) is a chemical compound with molecular formula C30H30N2O3 and molecular weight 466.22565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzoyl-6-(2-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 10-benzoyl-11-(2-ethoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(2-ethoxyphenyl)-3,3-dimethyl-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, [11-(2-ethoxyphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](phenyl)methanone, 5-benzoyl-6-(2-ethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Technical Specifications
| Molecular Formula | C30H30N2O3 |
| Molecular Weight | 466.22565 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.22565 Da |
| Heavy Atoms | 35 |
| Complexity | 827.0 |
| SMILES | CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)C5=CC=CC=C5 |
| InChIKey | PNJDJUGDKNSROB-UHFFFAOYSA-N |
Chemical Property Profile of ChemDiv1_003843
Property Insights of ChemDiv1_003843
The XLogP value of 5.6 indicates that ChemDiv1_003843 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, ChemDiv1_003843 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_003843 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ChemDiv1_003843?
The CAS number of ChemDiv1_003843 is 406914-94-1.
What is the molecular formula of ChemDiv1_003843?
The molecular formula of ChemDiv1_003843 is C30H30N2O3.
What is the molecular weight of ChemDiv1_003843?
The molecular weight of ChemDiv1_003843 is 466.22565 g/mol.
Where can I buy ChemDiv1_003843?
You can request a quote for ChemDiv1_003843 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv1_003843?
Yes, CoreyChem provides custom synthesis services for ChemDiv1_003843 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.