A3811/0161771
TL;DR: A3811/0161771 (CAS 727995-63-3) is a chemical compound with molecular formula C23H29N3O5 and molecular weight 427.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2,5-dioxo-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidin-1-yl]benzoate
Also Known As: A3811/0161771, ethyl 4-{2,5-dioxo-3-[3-(pyrrolidin-1-ylcarbonyl)piperidin-1-yl]pyrrolidin-1-yl}benzoate, ethyl 4-(2,5-dioxo-3-(3-(pyrrolidine-1-carbonyl)piperidin-1-yl)pyrrolidin-1-yl)benzoate, ethyl 4-[2,5-dioxo-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidin-1-yl]benzoate, ETHYL 4-{2,5-DIOXO-3-[3-(1-PYRROLIDINYLCARBONYL)PIPERIDINO]-1-PYRROLIDINYL}BENZOATE
| Molecular Formula | C23H29N3O5 |
|---|---|
| Molecular Weight | 427.21 g/mol |
| LogP | 1.8296 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.21072 |
| Heavy Atoms | 31 |
| Complexity | 862.46783 |
Chemical Identifiers
| CAS Number | 727995-63-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCCC(C3)C(=O)N4CCCC4 |
Product Overview
A3811/0161771 (CAS 727995-63-3), with molecular formula C23H29N3O5 and molecular weight 427.21 g/mol. IUPAC: ethyl 4-[2,5-dioxo-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidin-1-yl]benzoate.
Chemical Property Profile of A3811/0161771
Property Insights of A3811/0161771
The XLogP value of 1.8296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3811/0161771. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for A3811/0161771. Following Lipinski's Rule of Five, A3811/0161771 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 A3811/0161771?
The CAS number of A3811/0161771 is 727995-63-3.
What is the molecular formula of A3811/0161771?
The molecular formula of A3811/0161771 is C23H29N3O5.
What is the molecular weight of A3811/0161771?
The molecular weight of A3811/0161771 is 427.21 g/mol.
Where can I buy A3811/0161771?
You can request a quote for A3811/0161771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3811/0161771?
Yes, KEHONG BIO provides custom synthesis services for A3811/0161771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.