1'-O-Acetylpaxilline
TL;DR: 1'-O-Acetylpaxilline (CAS 121998-08-1) is a chemical compound with molecular formula C29H35NO5 and molecular weight 477.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1S,2R,5S,7R,11S,14S)-11-hydroxy-1,2-dimethyl-8-oxo-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-7-yl]propan-2-yl acetate
Also Known As: 1'-O-Acetylpaxilline, 1/'-O-Acetylpaxilline, 2-[(1S,2R,5S,7R,11S,14S)-11-hydroxy-1,2-dimethyl-8-oxo-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-7-yl]propan-2-yl acetate, 2H-1-Benzopyrano(5',6':6,7)indeno(1,2-b)indol-3(4bH)-one, 2-(1-(acetyloxy)-1-methylethyl)-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-12b,12c-dimethyl-, (2R-(2alpha,4bbeta,6aalpha,12bbeta,12calpha,14abeta))-, (1S,2S,4aR,5R,8aR)-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylidene-1-(4-methylpent-3-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
| Molecular Formula | C29H35NO5 |
|---|---|
| Molecular Weight | 477.25 g/mol |
| LogP | 4.5275 |
| Topological Polar Surface Area | 88.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 477.25153 |
| Heavy Atoms | 35 |
| Complexity | 1289.2228 |
Chemical Identifiers
| CAS Number | 121998-08-1 |
|---|---|
| SMILES | CC(=O)OC(C)(C)[C@@H]1C(=O)C=C2[C@@H](O1)CC[C@]3([C@]2(CC[C@@H]4[C@@]3(C5=C(C4)C6=CC=CC=C6N5)C)O)C |
Product Overview
1'-O-Acetylpaxilline (CAS 121998-08-1), with molecular formula C29H35NO5 and molecular weight 477.25 g/mol. IUPAC: 2-[(1S,2R,5S,7R,11S,14S)-11-hydroxy-1,2-dimethyl-8-oxo-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-7-yl]propan-2-yl acetate.
Chemical Property Profile of 1'-O-Acetylpaxilline
Property Insights of 1'-O-Acetylpaxilline
The XLogP value of 4.5275 indicates that 1'-O-Acetylpaxilline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-O-Acetylpaxilline. Following Lipinski's Rule of Five, 1'-O-Acetylpaxilline has 2 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 1'-O-Acetylpaxilline?
The CAS number of 1'-O-Acetylpaxilline is 121998-08-1.
What is the molecular formula of 1'-O-Acetylpaxilline?
The molecular formula of 1'-O-Acetylpaxilline is C29H35NO5.
What is the molecular weight of 1'-O-Acetylpaxilline?
The molecular weight of 1'-O-Acetylpaxilline is 477.25 g/mol.
Where can I buy 1'-O-Acetylpaxilline?
You can request a quote for 1'-O-Acetylpaxilline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-O-Acetylpaxilline?
Yes, KEHONG BIO provides custom synthesis services for 1'-O-Acetylpaxilline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.