Paliclavine
TL;DR: Paliclavine (CAS 52052-70-7) is a chemical compound with molecular formula C16H20N2O and molecular weight 256.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-2-methyl-1-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol
Also Known As: Paliclavine, (1R)-2-methyl-1-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol, N-bis(2-ethylaziridin-1-yl)phosphoryl-N-ethylethanamine, (1R)-2-methyl-1-((4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo(cd)indol-5-yl)prop-2-en-1-ol, (4R)-(4 alpha,5 beta(R*)))-1,3,4,5-tetrahydro-4-(methylamino)-alpha-(1-methylethenyl)benz(cd) indole-5-methanol
| Molecular Formula | C16H20N2O |
|---|---|
| Molecular Weight | 256.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.15756 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 52052-70-7 |
|---|---|
| SMILES | CC(=C)[C@@H]([C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)O |
| InChIKey | RYJKMWDFKMAASW-BMFZPTHFSA-N |
Product Overview
Paliclavine (CAS 52052-70-7), with molecular formula C16H20N2O and molecular weight 256.16 g/mol. IUPAC: (1R)-2-methyl-1-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol.
Chemical Property Profile of Paliclavine
Property Insights of Paliclavine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Paliclavine. With a topological polar surface area (TPSA) of 48.1 Ų, Paliclavine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Paliclavine has 3 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 Paliclavine?
The CAS number of Paliclavine is 52052-70-7.
What is the molecular formula of Paliclavine?
The molecular formula of Paliclavine is C16H20N2O.
What is the molecular weight of Paliclavine?
The molecular weight of Paliclavine is 256.16 g/mol.
Where can I buy Paliclavine?
You can request a quote for Paliclavine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paliclavine?
Yes, KEHONG BIO provides custom synthesis services for Paliclavine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.