![N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide structure](/static/products/2381/23812-97-7.webp)
N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide
TL;DR: N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide (CAS 23812-97-7) is a chemical compound with molecular formula C27H35NO8 and molecular weight 501.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(2-oxopropanoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl] acetate
Also Known As: N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide
| Molecular Formula | C27H35NO8 |
|---|---|
| Molecular Weight | 501.24 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.23627 |
| Heavy Atoms | 36 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 23812-97-7 |
|---|---|
| SMILES | CC1C2CC(C=CC(=CCC(C=CC(=CC(C(C1=O)(C(=O)O2)C)NC(=O)C(=O)C)C)OC(=O)C)C)O |
| InChIKey | SXLMQJVXWZFRNQ-UHFFFAOYSA-N |
Product Overview
N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide (CAS 23812-97-7), with molecular formula C27H35NO8 and molecular weight 501.24 g/mol. IUPAC: [13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(2-oxopropanoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl] acetate.
Chemical Property Profile of N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide
Property Insights of N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide. Following Lipinski's Rule of Five, N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide?
The CAS number of N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide is 23812-97-7.
What is the molecular formula of N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide?
The molecular formula of N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide is C27H35NO8.
What is the molecular weight of N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide?
The molecular weight of N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide is 501.24 g/mol.
Where can I buy N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide?
You can request a quote for N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-(Acetyloxy)-13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetren-2-yl]-2-oxopropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.