Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid
TL;DR: Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid (CAS 61391-10-4) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1R,3R,7R,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]formamide
Also Known As: Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid, n-[(1r,6r,7r,7ar)-hexahydro-1h-1,6-epoxypyrrolizin-7-yl]formamide, (1R,6R,7R,7aR)-Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 61391-10-4 |
|---|---|
| SMILES | C1CN2C[C@@H]3[C@@H]([C@@H]2[C@@H]1O3)NC=O |
| InChIKey | XKEMMYSNKGUOCT-NGJRWZKOSA-N |
Product Overview
Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid (CAS 61391-10-4), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: N-[(1R,3R,7R,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]formamide.
Chemical Property Profile of Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid
Property Insights of Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid
The XLogP value of -0.6 indicates that Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.6 Ų, Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid has 1 hydrogen bond donor(s) and 3 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 Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid?
The CAS number of Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid is 61391-10-4.
What is the molecular formula of Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid?
The molecular formula of Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid is C8H12N2O2.
What is the molecular weight of Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid?
The molecular weight of Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid is 168.09 g/mol.
Where can I buy Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid?
You can request a quote for Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.