Phlegmariurine A
TL;DR: Phlegmariurine A (CAS 93754-82-6) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,6R)-6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-4(13)-ene-2,8-dione
Also Known As: Phlegmariurine A, J1.522.970E, (1S,6R)-6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-4(13)-ene-2,8-dione, 4,11-Propano-4H-cyclopent(e)azecine-5,10(1H, 6H)-dione, 2,3,7,8,9,11-hexahydro-7-methyl-, (7R,11S)-, (1S,6R)-6-methyl-9-azatricyclo(7.4.3.04,13)hexadec-4(13)-ene-2,8-dione
| Molecular Formula | C16H23NO2 |
|---|---|
| Molecular Weight | 261.17 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 261.17288 |
| Heavy Atoms | 19 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 93754-82-6 |
|---|---|
| SMILES | C[C@@H]1CC2=C3CCCN(CCC[C@@H]3C(=O)C2)C(=O)C1 |
| InChIKey | OFVBIHDTBLOLMM-RISCZKNCSA-N |
Product Overview
Phlegmariurine A (CAS 93754-82-6), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: (1S,6R)-6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-4(13)-ene-2,8-dione.
Chemical Property Profile of Phlegmariurine A
Property Insights of Phlegmariurine A
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phlegmariurine A. With a topological polar surface area (TPSA) of 37.4 Ų, Phlegmariurine A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phlegmariurine A has 0 hydrogen bond donor(s) and 2 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 Phlegmariurine A?
The CAS number of Phlegmariurine A is 93754-82-6.
What is the molecular formula of Phlegmariurine A?
The molecular formula of Phlegmariurine A is C16H23NO2.
What is the molecular weight of Phlegmariurine A?
The molecular weight of Phlegmariurine A is 261.17 g/mol.
Where can I buy Phlegmariurine A?
You can request a quote for Phlegmariurine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phlegmariurine A?
Yes, KEHONG BIO provides custom synthesis services for Phlegmariurine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.