![(S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate structure](/static/products/956/956237-34-6.png)
(S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate
TL;DR: (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate (CAS 956237-34-6) is a chemical compound with molecular formula C29H33NO7 and molecular weight 507.23 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] (2S)-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate
Also Known As: (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate, [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl] (2S)-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate
| Molecular Formula | C29H33NO7 |
|---|---|
| Molecular Weight | 507.23 g/mol |
| LogP | 5.07212 |
| Topological Polar Surface Area | 87.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 507.2257 |
| Heavy Atoms | 37 |
| Complexity | 1371.1534 |
Chemical Identifiers
| CAS Number | 956237-34-6 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)[C@@H]3CCCN3COC(C)(C)C)C4=CC5=C(C=C4)OCCCO5 |
Product Overview
(S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate (CAS 956237-34-6), with molecular formula C29H33NO7 and molecular weight 507.23 g/mol. IUPAC: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl] (2S)-1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2-carboxylate.
Chemical Property Profile of (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate
Property Insights of (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate
The XLogP value of 5.07212 indicates that (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate. Following Lipinski's Rule of Five, (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate has 0 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 (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate?
The CAS number of (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate is 956237-34-6.
What is the molecular formula of (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate?
The molecular formula of (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate is C29H33NO7.
What is the molecular weight of (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate?
The molecular weight of (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate is 507.23 g/mol.
Where can I buy (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate?
You can request a quote for (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 1-(tert-butoxymethyl)pyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.