Pessoine
TL;DR: Pessoine (CAS 88668-29-5) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10,11-triol
Also Known As: Pessoine, (-)-Pessoine, (13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10,11-triol, (12BS)-10-METHOXY-7,8,12B,13-TETRAHYDRO-5H-6-AZATETRAPHENE-2,3,11-TRIOL, (13aS)-3-Methoxy-5,8,13,13a-tetrahydro-6H-dibenzo[a,g]quinolizine-2,10,11-triol
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 88668-29-5 |
|---|---|
| SMILES | COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)O |
| InChIKey | NZFYGBOUVBINBH-AWEZNQCLSA-N |
Product Overview
Pessoine (CAS 88668-29-5), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: (13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10,11-triol.
Chemical Property Profile of Pessoine
Property Insights of Pessoine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pessoine. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pessoine. Following Lipinski's Rule of Five, Pessoine has 3 hydrogen bond donor(s) and 5 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 Pessoine?
The CAS number of Pessoine is 88668-29-5.
What is the molecular formula of Pessoine?
The molecular formula of Pessoine is C18H19NO4.
What is the molecular weight of Pessoine?
The molecular weight of Pessoine is 313.13 g/mol.
Where can I buy Pessoine?
You can request a quote for Pessoine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pessoine?
Yes, KEHONG BIO provides custom synthesis services for Pessoine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.