3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate
TL;DR: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate (CAS 610753-93-0) is a chemical compound with molecular formula C22H22O7S and molecular weight 430.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl] methanesulfonate
Also Known As: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate, AB01321551-02, AF-399/41502435, F3139-0859, 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate
| Molecular Formula | C22H22O7S |
|---|---|
| Molecular Weight | 430.11 g/mol |
| LogP | 3.9122 |
| Topological Polar Surface Area | 92.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.1086 |
| Heavy Atoms | 30 |
| Complexity | 1258.4515 |
Chemical Identifiers
| CAS Number | 610753-93-0 |
|---|---|
| SMILES | CCCC1=CC2=C(C=C1OS(=O)(=O)C)OC=C(C2=O)C3=CC4=C(C=C3)OCCCO4 |
Product Overview
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate (CAS 610753-93-0), with molecular formula C22H22O7S and molecular weight 430.11 g/mol. IUPAC: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl] methanesulfonate.
Chemical Property Profile of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate
Property Insights of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate
The XLogP value of 3.9122 indicates that 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate. Following Lipinski's Rule of Five, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate 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 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate?
The CAS number of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate is 610753-93-0.
What is the molecular formula of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate?
The molecular formula of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate is C22H22O7S.
What is the molecular weight of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate?
The molecular weight of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate is 430.11 g/mol.
Where can I buy 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate?
You can request a quote for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.