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Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate
TL;DR: Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate (CAS 7548-90-5) is a chemical compound with molecular formula C21H25N3O2 and molecular weight 351.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-phenyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl)benzoate
Also Known As: Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate, ethyl 4-(3-phenyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]py, ethyl 4-(3-phenyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl)benzoate
| Molecular Formula | C21H25N3O2 |
|---|---|
| Molecular Weight | 351.19 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.19467 |
| Heavy Atoms | 26 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 7548-90-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CC3CNCCN3C2C4=CC=CC=C4 |
| InChIKey | PKAPECZHQZELOS-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate (CAS 7548-90-5), with molecular formula C21H25N3O2 and molecular weight 351.19 g/mol. IUPAC: ethyl 4-(3-phenyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl)benzoate.
Chemical Property Profile of Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate
Property Insights of Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate
The XLogP value of 3.1 indicates that Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate has 1 hydrogen bond donor(s) and 5 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-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate?
The CAS number of Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate is 7548-90-5.
What is the molecular formula of Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate?
The molecular formula of Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate is C21H25N3O2.
What is the molecular weight of Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate?
The molecular weight of Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate is 351.19 g/mol.
Where can I buy Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate?
You can request a quote for Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-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-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-phenylhexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.