Phlegmariurine B
TL;DR: Phlegmariurine B (CAS 93754-83-7) 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.
6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8-dione
Also Known As: Phlegmariurine B, 6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8-dione, 6-methyl-9-azatricyclo(7.4.3.04,13)hexadec-1(13)-ene-2,8-dione, 7-Methyl-2,3,7,8,8a,9-hexahydro-4,11-propanocyclopenta[e]azecine-5,10(1H,6H)-dione, 4,11-Propano-4H-cyclopent(e)azecine-5,10(1H,6H)-dione, 2,3,7,8,8a,9-hexahydro-7-methyl-, (4S,7R,8aS)-
| Molecular Formula | C16H23NO2 |
|---|---|
| Molecular Weight | 261.17 g/mol |
| LogP | 1.4 |
| 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 | 93754-83-7 |
|---|---|
| SMILES | CC1CC2CC(=O)C3=C2CCCN(CCC3)C(=O)C1 |
| InChIKey | YPKNWWHNAWQDKM-UHFFFAOYSA-N |
Product Overview
Phlegmariurine B (CAS 93754-83-7), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: 6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8-dione.
Chemical Property Profile of Phlegmariurine B
Property Insights of Phlegmariurine B
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phlegmariurine B. With a topological polar surface area (TPSA) of 37.4 Ų, Phlegmariurine B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phlegmariurine B 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 B?
The CAS number of Phlegmariurine B is 93754-83-7.
What is the molecular formula of Phlegmariurine B?
The molecular formula of Phlegmariurine B is C16H23NO2.
What is the molecular weight of Phlegmariurine B?
The molecular weight of Phlegmariurine B is 261.17 g/mol.
Where can I buy Phlegmariurine B?
You can request a quote for Phlegmariurine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phlegmariurine B?
Yes, KEHONG BIO provides custom synthesis services for Phlegmariurine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.