Paspalicine
TL;DR: Paspalicine (CAS 111619-01-3) is a chemical compound with molecular formula C27H31NO3 and molecular weight 417.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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: Paspalicine, Co(NH3)5 Ascorbate, Vitamin C-Co-pentammine, Cobalt-pentammine-ascorbate complex, 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
| Molecular Formula | C27H31NO3 |
|---|---|
| Molecular Weight | 417.23 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 417.2304 |
| Heavy Atoms | 31 |
| Complexity | 880.0 |
Chemical Identifiers
| CAS Number | 111619-01-3 |
|---|---|
| SMILES | CC1(C2C(=O)C=C3C4CCC5CC6=C(C5(C4(CCC3(O2)O1)C)C)NC7=CC=CC=C67)C |
| InChIKey | HSFKQYJRJBEWKH-UHFFFAOYSA-N |
Product Overview
Paspalicine (CAS 111619-01-3), with molecular formula C27H31NO3 and molecular weight 417.23 g/mol. IUPAC: 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 Paspalicine
Property Insights of Paspalicine
The XLogP value of 4.6 indicates that Paspalicine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, Paspalicine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Paspalicine has 1 hydrogen bond donor(s) and 3 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 Paspalicine?
The CAS number of Paspalicine is 111619-01-3.
What is the molecular formula of Paspalicine?
The molecular formula of Paspalicine is C27H31NO3.
What is the molecular weight of Paspalicine?
The molecular weight of Paspalicine is 417.23 g/mol.
Where can I buy Paspalicine?
You can request a quote for Paspalicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paspalicine?
Yes, KEHONG BIO provides custom synthesis services for Paspalicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.