![(S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate structure](/static/products/956/956350-98-4.png)
(S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate
TL;DR: (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate (CAS 956350-98-4) is a chemical compound with molecular formula C23H27NO6 and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-tert-butyl 2-O-(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) (2S)-pyrrolidine-1,2-dicarboxylate
Also Known As: (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate, 1-O-tert-butyl 2-O-(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) (2S)-pyrrolidine-1,2-dicarboxylate
| Molecular Formula | C23H27NO6 |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 3.89502 |
| Topological Polar Surface Area | 86.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.18384 |
| Heavy Atoms | 30 |
| Complexity | 1077.7606 |
Chemical Identifiers
| CAS Number | 956350-98-4 |
|---|---|
| SMILES | CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C |
Product Overview
(S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate (CAS 956350-98-4), with molecular formula C23H27NO6 and molecular weight 413.18 g/mol. IUPAC: 1-O-tert-butyl 2-O-(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) (2S)-pyrrolidine-1,2-dicarboxylate.
Chemical Property Profile of (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate
Property Insights of (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate
The XLogP value of 3.89502 indicates that (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate. Following Lipinski's Rule of Five, (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate has 0 hydrogen bond donor(s) and 6 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-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate?
The CAS number of (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate is 956350-98-4.
What is the molecular formula of (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate?
The molecular formula of (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate is C23H27NO6.
What is the molecular weight of (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate?
The molecular weight of (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate is 413.18 g/mol.
Where can I buy (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate?
You can request a quote for (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-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-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-1-tert-butyl 2-(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl) pyrrolidine-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.