3-Acetylcevin
TL;DR: 3-Acetylcevin (CAS 28111-34-4) is a chemical compound with molecular formula C29H45NO9 and molecular weight 551.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,6S,9S,10R,11S,12S,14R,19S,22R,23S,25R)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] acetate
Also Known As: Acetylcevin, 3-Acetylcevin, 4,9-Epoxycevane-3-alpha,4-beta,12,14,16-beta,17,20-heptol 3-acetate, CEVANE-3-alpha,4-beta,12,14,16-beta,17,20-HEPTOL, 4,9-EPOXY-, 3-ACETATE, RefChem:1067265
| Molecular Formula | C29H45NO9 |
|---|---|
| Molecular Weight | 551.31 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 551.30945 |
| Heavy Atoms | 39 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 28111-34-4 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4(C5CCC6[C@]7([C@]5(C[C@]4(C3CN2C1)O)O[C@@]6([C@@H](CC7)OC(=O)C)O)C)O)O)O)(C)O |
| InChIKey | VYZRUGATWIYMKD-ZJOPWFDKSA-N |
Product Overview
3-Acetylcevin (CAS 28111-34-4), with molecular formula C29H45NO9 and molecular weight 551.31 g/mol. IUPAC: [(1R,6S,9S,10R,11S,12S,14R,19S,22R,23S,25R)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] acetate.
Chemical Property Profile of 3-Acetylcevin
Property Insights of 3-Acetylcevin
The XLogP value of -0.6 indicates that 3-Acetylcevin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.0 Ų indicates high polarity, suggesting 3-Acetylcevin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Acetylcevin has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Acetylcevin?
The CAS number of 3-Acetylcevin is 28111-34-4.
What is the molecular formula of 3-Acetylcevin?
The molecular formula of 3-Acetylcevin is C29H45NO9.
What is the molecular weight of 3-Acetylcevin?
The molecular weight of 3-Acetylcevin is 551.31 g/mol.
Where can I buy 3-Acetylcevin?
You can request a quote for 3-Acetylcevin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetylcevin?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetylcevin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.