Morellic acid
TL;DR: Morellic acid (CAS 861121-93-9) is a chemical compound with molecular formula C29H31N3O2 and molecular weight 453.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-benzyl-2-(4-methoxyphenyl)-9-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
Also Known As: Morellic acid, 1'-benzyl-2-(4-methoxyphenyl)-9-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine], 1-benzyl-2'-(4-methoxyphenyl)-9'-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine], 1'-benzyl-2-(4-methoxyphenyl)-9-methyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine], 1-Benzyl-2'-(4-methoxyphenyl)-9'-methyl-1',10'b-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
| Molecular Formula | C29H31N3O2 |
|---|---|
| Molecular Weight | 453.24 g/mol |
| LogP | 5.53942 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.24164 |
| Heavy Atoms | 34 |
| Complexity | 1197.8052 |
Chemical Identifiers
| CAS Number | 861121-93-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC3(CCN(CC3)CC4=CC=CC=C4)N5C2CC(=N5)C6=CC=C(C=C6)OC |
Product Overview
Morellic acid (CAS 861121-93-9), with molecular formula C29H31N3O2 and molecular weight 453.24 g/mol. IUPAC: 1'-benzyl-2-(4-methoxyphenyl)-9-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].
Chemical Property Profile of Morellic acid
Property Insights of Morellic acid
The XLogP value of 5.53942 indicates that Morellic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Morellic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Morellic acid has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Morellic acid?
The CAS number of Morellic acid is 861121-93-9.
What is the molecular formula of Morellic acid?
The molecular formula of Morellic acid is C29H31N3O2.
What is the molecular weight of Morellic acid?
The molecular weight of Morellic acid is 453.24 g/mol.
Where can I buy Morellic acid?
You can request a quote for Morellic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Morellic acid?
Yes, KEHONG BIO provides custom synthesis services for Morellic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.