ChemDiv3_006306
TL;DR: ChemDiv3_006306 (CAS 425653-34-5) is a chemical compound with molecular formula C27H27NO4 and molecular weight 429.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-hydroxy-5-phenyl-2,4-dihydro-1H-3-benzazepin-3-yl)propan-1-one
Also Known As: ChemDiv3_006306, BAS 02975076, IDI1_024216, AB00483200-08, AB00483200-10
| Molecular Formula | C27H27NO4 |
|---|---|
| Molecular Weight | 429.19 g/mol |
| LogP | 3.8248 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.194 |
| Heavy Atoms | 32 |
| Complexity | 1113.649 |
Chemical Identifiers
| CAS Number | 425653-34-5 |
|---|---|
| SMILES | C1CN(CC(C2=CC=CC=C21)(C3=CC=CC=C3)O)CCC(=O)C4=CC5=C(C=C4)OCCO5 |
Product Overview
ChemDiv3_006306 (CAS 425653-34-5), with molecular formula C27H27NO4 and molecular weight 429.19 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-hydroxy-5-phenyl-2,4-dihydro-1H-3-benzazepin-3-yl)propan-1-one.
Chemical Property Profile of ChemDiv3_006306
Property Insights of ChemDiv3_006306
The XLogP value of 3.8248 indicates that ChemDiv3_006306 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, ChemDiv3_006306 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_006306 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_006306?
The CAS number of ChemDiv3_006306 is 425653-34-5.
What is the molecular formula of ChemDiv3_006306?
The molecular formula of ChemDiv3_006306 is C27H27NO4.
What is the molecular weight of ChemDiv3_006306?
The molecular weight of ChemDiv3_006306 is 429.19 g/mol.
Where can I buy ChemDiv3_006306?
You can request a quote for ChemDiv3_006306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006306?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.