![Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester structure](/static/products/7542/7542-46-3.webp)
Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester
TL;DR: Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester (CAS 7542-46-3) is a chemical compound with molecular formula C19H23N5O4 and molecular weight 385.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl]benzoate
Also Known As: Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester, ethyl 4-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-3,5,6,7,8,8a-hexahy, ethyl 4-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl]benzoate, Ethyl 4-[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)hexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]benzoate
| Molecular Formula | C19H23N5O4 |
|---|---|
| Molecular Weight | 385.18 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.17502 |
| Heavy Atoms | 28 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 7542-46-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CC3CNCCN3C2C4=CNC(=O)NC4=O |
| InChIKey | TYYHKCWDXHSXOZ-UHFFFAOYSA-N |
Product Overview
Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester (CAS 7542-46-3), with molecular formula C19H23N5O4 and molecular weight 385.18 g/mol. IUPAC: ethyl 4-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-2-yl]benzoate.
Chemical Property Profile of Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester
Property Insights of Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester. Following Lipinski's Rule of Five, Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester has 3 hydrogen bond donor(s) and 7 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 Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester?
The CAS number of Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester is 7542-46-3.
What is the molecular formula of Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester?
The molecular formula of Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester is C19H23N5O4.
What is the molecular weight of Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester?
The molecular weight of Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester is 385.18 g/mol.
Where can I buy Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester?
You can request a quote for Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid,4-[hexahydro-3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)imidazo[1,5-a]pyrazin-2(3h)-yl]-,ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.