![ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate structure](/static/products/100/1005082-91-6.png)
ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate
TL;DR: ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate (CAS 1005082-91-6) is a chemical compound with molecular formula C25H23ClN2O5 and molecular weight 466.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(4-chlorobenzoyl)-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]benzoate
Also Known As: ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate, ethyl 4-[4-(4-chlorobenzoyl)-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]benzoate, ethyl 4-{4-[(4-chlorophenyl)carbonyl]-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl}benzoate, REGID_for_CID_665788
| Molecular Formula | C25H23ClN2O5 |
|---|---|
| Molecular Weight | 466.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.12955 |
| Heavy Atoms | 33 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 1005082-91-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CCCN4C(C3C2=O)C(=O)C5=CC=C(C=C5)Cl |
| InChIKey | YVJLMBZWDDLOBM-UHFFFAOYSA-N |
Product Overview
ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate (CAS 1005082-91-6), with molecular formula C25H23ClN2O5 and molecular weight 466.13 g/mol. IUPAC: ethyl 4-[4-(4-chlorobenzoyl)-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]benzoate.
Chemical Property Profile of ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate
Property Insights of ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate
The XLogP value of 3.4 indicates that ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate 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 ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate?
The CAS number of ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate is 1005082-91-6.
What is the molecular formula of ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate?
The molecular formula of ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate is C25H23ClN2O5.
What is the molecular weight of ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate?
The molecular weight of ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate is 466.13 g/mol.
Where can I buy ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate?
You can request a quote for ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4-(4-chlorobenzoyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.