降黑麦草碱
TL;DR: 降黑麦草碱 (CAS 4839-19-4) is a chemical compound with molecular formula C7H12N2O and molecular weight 140.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
降黑麦草碱
(1R,3R,7R,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine
Also Known As: N-Demethylloine, (1R,3R,7R,8R)-2-oxa-6-azatricyclo[4.2.1.0(3),?]nonan-8-amine
| Molecular Formula | C7H12N2O |
|---|---|
| Molecular Weight | 140.09 g/mol |
| LogP | -0.831 |
| Topological Polar Surface Area | 38.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.09496 |
| Heavy Atoms | 10 |
| Complexity | 156.23416 |
Chemical Identifiers
| CAS Number | 4839-19-4 |
|---|---|
| SMILES | C1CN2C[C@@H]3[C@@H]([C@@H]2[C@@H]1O3)N |
Product Overview
降黑麦草碱 (CAS 4839-19-4), with molecular formula C7H12N2O and molecular weight 140.09 g/mol. IUPAC: (1R,3R,7R,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine.
Chemical Property Profile of 降黑麦草碱
Property Insights of 降黑麦草碱
The XLogP value of -0.831 indicates that 降黑麦草碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.49 Ų, 降黑麦草碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 降黑麦草碱 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 降黑麦草碱?
The CAS number of 降黑麦草碱 is 4839-19-4.
What is the molecular formula of 降黑麦草碱?
The molecular formula of 降黑麦草碱 is C7H12N2O.
What is the molecular weight of 降黑麦草碱?
The molecular weight of 降黑麦草碱 is 140.09 g/mol.
Where can I buy 降黑麦草碱?
You can request a quote for 降黑麦草碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 降黑麦草碱?
Yes, KEHONG BIO provides custom synthesis services for 降黑麦草碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.