Paspalinine
TL;DR: Paspalinine (CAS 63722-91-8) is a chemical compound with molecular formula C27H31NO4 and molecular weight 433.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
19-hydroxy-4,5,24,24-tetramethyl-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-22-one
Also Known As: Paspalinine, 5b-hydroxy-2,2,13b,13c-tetramethyl-2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-4h-3,15a-epoxy[1]benzoxepino[6',7':6,7]indeno[1,2-b]indol-4-one, 19-Hydroxy-4,5,24,24-tetramethyl-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-22-one
| Molecular Formula | C27H31NO4 |
|---|---|
| Molecular Weight | 433.23 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 433.2253 |
| Heavy Atoms | 32 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 63722-91-8 |
|---|---|
| SMILES | CC1(C2C(=O)C=C3C4(CCC5CC6=C(C5(C4(CCC3(O2)O1)C)C)NC7=CC=CC=C67)O)C |
| InChIKey | BPTIXFRJAOKMRK-UHFFFAOYSA-N |
Product Overview
Paspalinine (CAS 63722-91-8), with molecular formula C27H31NO4 and molecular weight 433.23 g/mol. IUPAC: 19-hydroxy-4,5,24,24-tetramethyl-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-22-one.
Chemical Property Profile of Paspalinine
Property Insights of Paspalinine
The XLogP value of 3.2 indicates that Paspalinine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Paspalinine. Following Lipinski's Rule of Five, Paspalinine has 2 hydrogen bond donor(s) and 4 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 Paspalinine?
The CAS number of Paspalinine is 63722-91-8.
What is the molecular formula of Paspalinine?
The molecular formula of Paspalinine is C27H31NO4.
What is the molecular weight of Paspalinine?
The molecular weight of Paspalinine is 433.23 g/mol.
Where can I buy Paspalinine?
You can request a quote for Paspalinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paspalinine?
Yes, KEHONG BIO provides custom synthesis services for Paspalinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.