Acetylheteretisine
TL;DR: Acetylheteretisine (CAS 52418-02-7) is a chemical compound with molecular formula C24H35NO6 and molecular weight 433.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl) acetate
Also Known As: ACETYLHETERETISINE, 12-Ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.1~2,6~.0~1,11~.0~3,9~.0~14,18~]icosan-19-yl acetate
| Molecular Formula | C24H35NO6 |
|---|---|
| Molecular Weight | 433.25 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.24643 |
| Heavy Atoms | 31 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 52418-02-7 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)C5(CCC6CC4C5C(=O)O6)O)OC(=O)C)OC)C |
| InChIKey | DJZHBXHQCUCAAV-UHFFFAOYSA-N |
Product Overview
Acetylheteretisine (CAS 52418-02-7), with molecular formula C24H35NO6 and molecular weight 433.25 g/mol. IUPAC: (12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl) acetate.
Chemical Property Profile of Acetylheteretisine
Property Insights of Acetylheteretisine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylheteretisine. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylheteretisine. Following Lipinski's Rule of Five, Acetylheteretisine has 1 hydrogen bond donor(s) and 7 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 Acetylheteretisine?
The CAS number of Acetylheteretisine is 52418-02-7.
What is the molecular formula of Acetylheteretisine?
The molecular formula of Acetylheteretisine is C24H35NO6.
What is the molecular weight of Acetylheteretisine?
The molecular weight of Acetylheteretisine is 433.25 g/mol.
Where can I buy Acetylheteretisine?
You can request a quote for Acetylheteretisine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylheteretisine?
Yes, KEHONG BIO provides custom synthesis services for Acetylheteretisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.