![(3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one structure](/static/products/221/221323-41-7.png)
(3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
TL;DR: (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one (CAS 221323-41-7) is a chemical compound with molecular formula C19H27N5O4S and molecular weight 421.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6S,6aS)-1-[5-[(cyclopropylamino)methyl]pyrazine-2-carbonyl]-4-methylsulfonyl-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
Also Known As: (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one, 4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3-isopropyl-1-methanesulfonyl-hexahydro-pyrrolo[3,2-b]pyrrol-2-one; hydrochloride
| Molecular Formula | C19H27N5O4S |
|---|---|
| Molecular Weight | 421.18 g/mol |
| LogP | 0.3857 |
| Topological Polar Surface Area | 112.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.17838 |
| Heavy Atoms | 29 |
| Complexity | 913.0321 |
Chemical Identifiers
| CAS Number | 221323-41-7 |
|---|---|
| SMILES | CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)C3=NC=C(N=C3)CNC4CC4)N(C1=O)S(=O)(=O)C |
Product Overview
(3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one (CAS 221323-41-7), with molecular formula C19H27N5O4S and molecular weight 421.18 g/mol. IUPAC: (3aR,6S,6aS)-1-[5-[(cyclopropylamino)methyl]pyrazine-2-carbonyl]-4-methylsulfonyl-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.
Chemical Property Profile of (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
Property Insights of (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one
The XLogP value of 0.3857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one. The TPSA of 112.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one. Following Lipinski's Rule of Five, (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one has 1 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 (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one?
The CAS number of (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one is 221323-41-7.
What is the molecular formula of (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one?
The molecular formula of (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one is C19H27N5O4S.
What is the molecular weight of (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one?
The molecular weight of (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one is 421.18 g/mol.
Where can I buy (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one?
You can request a quote for (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for (3S,3aS,6aR)-4-(5-((Cyclopropylamino)methyl)pyrazine-2-carbonyl)-3-isopropyl-1-(methylsulfonyl)hexahydropyrrolo[3,2-b]pyrrol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.