ChemDiv1_000650
TL;DR: ChemDiv1_000650 (CAS 303025-41-4) is a chemical compound with molecular formula C25H26O7 and molecular weight 438.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl]oxypropanoate
Also Known As: ChemDiv1_000650, methyl 2-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl)oxy)propanoate, methyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl]oxypropanoate, methyl 2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl]oxy}propanoate
| Molecular Formula | C25H26O7 |
|---|---|
| Molecular Weight | 438.17 g/mol |
| LogP | 4.5141 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.16785 |
| Heavy Atoms | 32 |
| Complexity | 1194.8501 |
Chemical Identifiers
| CAS Number | 303025-41-4 |
|---|---|
| SMILES | CCCC1=CC2=C(C=C1OC(C)C(=O)OC)OC=C(C2=O)C3=CC4=C(C=C3)OCCCO4 |
Product Overview
ChemDiv1_000650 (CAS 303025-41-4), with molecular formula C25H26O7 and molecular weight 438.17 g/mol. IUPAC: methyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl]oxypropanoate.
Chemical Property Profile of ChemDiv1_000650
Property Insights of ChemDiv1_000650
The XLogP value of 4.5141 indicates that ChemDiv1_000650 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000650. Following Lipinski's Rule of Five, ChemDiv1_000650 has 0 hydrogen bond donor(s) and 7 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 ChemDiv1_000650?
The CAS number of ChemDiv1_000650 is 303025-41-4.
What is the molecular formula of ChemDiv1_000650?
The molecular formula of ChemDiv1_000650 is C25H26O7.
What is the molecular weight of ChemDiv1_000650?
The molecular weight of ChemDiv1_000650 is 438.17 g/mol.
Where can I buy ChemDiv1_000650?
You can request a quote for ChemDiv1_000650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000650?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.