![3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate structure](/static/products/2948/294855-25-7.webp)
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate
TL;DR: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate (CAS 294855-25-7) is a chemical compound with molecular formula C31H29NO8 and molecular weight 543.19 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)-2-methyl-4-oxochromen-7-yl] 4-(phenylmethoxycarbonylamino)butanoate
Also Known As: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate, [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl] 4-(phenylmethoxycarbonylamino)butanoate
| Molecular Formula | C31H29NO8 |
|---|---|
| Molecular Weight | 543.19 g/mol |
| LogP | 5.54172 |
| Topological Polar Surface Area | 113.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 543.18933 |
| Heavy Atoms | 40 |
| Complexity | 1578.0684 |
Chemical Identifiers
| CAS Number | 294855-25-7 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCCNC(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5 |
Product Overview
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate (CAS 294855-25-7), with molecular formula C31H29NO8 and molecular weight 543.19 g/mol. IUPAC: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl] 4-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate
Property Insights of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate
The XLogP value of 5.54172 indicates that 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate. Following Lipinski's Rule of Five, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate?
The CAS number of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate is 294855-25-7.
What is the molecular formula of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate?
The molecular formula of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate is C31H29NO8.
What is the molecular weight of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate?
The molecular weight of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate is 543.19 g/mol.
Where can I buy 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate?
You can request a quote for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate 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)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.