![(S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate structure](/static/products/313/313517-29-2.png)
(S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate
TL;DR: (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate (CAS 313517-29-2) is a chemical compound with molecular formula C27H27NO8 and molecular weight 493.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-tert-butyl 2-O-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl] (2S)-pyrrolidine-1,2-dicarboxylate
Also Known As: (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate, 1-O-tert-butyl 2-O-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl] (2S)-pyrrolidine-1,2-dicarboxylate, 1-TERT-BUTYL 2-[3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-4-OXO-4H-CHROMEN-7-YL] (2S)-1,2-PYRROLIDINEDICARBOXYLATE, 1-tert-butyl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-chromen-7-yl] (2S)-pyrrolidine-1,2-dicarboxylate
| Molecular Formula | C27H27NO8 |
|---|---|
| Molecular Weight | 493.17 g/mol |
| LogP | 4.5361 |
| Topological Polar Surface Area | 104.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 493.17368 |
| Heavy Atoms | 36 |
| Complexity | 1386.7646 |
Chemical Identifiers
| CAS Number | 313517-29-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC5=C(C=C4)OCCO5 |
Product Overview
(S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate (CAS 313517-29-2), with molecular formula C27H27NO8 and molecular weight 493.17 g/mol. IUPAC: 1-O-tert-butyl 2-O-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl] (2S)-pyrrolidine-1,2-dicarboxylate.
Chemical Property Profile of (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate
Property Insights of (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate
The XLogP value of 4.5361 indicates that (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate. Following Lipinski's Rule of Five, (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate has 0 hydrogen bond donor(s) and 8 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 (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate?
The CAS number of (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate is 313517-29-2.
What is the molecular formula of (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate?
The molecular formula of (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate is C27H27NO8.
What is the molecular weight of (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate?
The molecular weight of (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate is 493.17 g/mol.
Where can I buy (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate?
You can request a quote for (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-1-tert-butyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-chromen-7-yl) pyrrolidine-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.