Arenaine
TL;DR: Arenaine (CAS 35471-10-4) is a chemical compound with molecular formula C11H17N3O and molecular weight 207.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,4aS)-1-amino-7-ethenyl-4,7-dimethyl-4,4a,5,6-tetrahydropyrrolo[1,2-c]pyrimidin-3-one
Also Known As: Arenaine, (4S,4aS)-1-amino-7-ethenyl-4,7-dimethyl-4,4a,5,6-tetrahydropyrrolo[1,2-c]pyrimidin-3-one, (4S,4aS)-1-amino-4,7-dimethyl-7-vinyl-4,4a,5,6-tetrahydropyrrolo[1,2-c]pyrimidin-3-one, (4S,4aS)-1-amino-4,7-dimethyl-7-vinyl-4,4a,5,6-tetrahydropyrrolo(1,2-c)pyrimidin-3-one, (4S,4aS)-1-Amino-7-ethenyl-4,7-dimethyl-4a,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-3(4H)-one
| Molecular Formula | C11H17N3O |
|---|---|
| Molecular Weight | 207.14 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.13716 |
| Heavy Atoms | 15 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 35471-10-4 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CCC(N2C(=NC1=O)N)(C)C=C |
| InChIKey | JICZMZVYTMAXGX-KHSUWTBESA-N |
Product Overview
Arenaine (CAS 35471-10-4), with molecular formula C11H17N3O and molecular weight 207.14 g/mol. IUPAC: (4S,4aS)-1-amino-7-ethenyl-4,7-dimethyl-4,4a,5,6-tetrahydropyrrolo[1,2-c]pyrimidin-3-one.
Chemical Property Profile of Arenaine
Property Insights of Arenaine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arenaine. With a topological polar surface area (TPSA) of 58.7 Ų, Arenaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Arenaine has 1 hydrogen bond donor(s) and 1 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 Arenaine?
The CAS number of Arenaine is 35471-10-4.
What is the molecular formula of Arenaine?
The molecular formula of Arenaine is C11H17N3O.
What is the molecular weight of Arenaine?
The molecular weight of Arenaine is 207.14 g/mol.
Where can I buy Arenaine?
You can request a quote for Arenaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arenaine?
Yes, KEHONG BIO provides custom synthesis services for Arenaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.