4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate
TL;DR: 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate (CAS 24381-53-1) is a chemical compound with molecular formula C31H47NO10 and molecular weight 593.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(10S,13S,14S,16R)-12-acetyloxy-10,13,14,16,23-pentahydroxy-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: 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate, (5xi,8xi,9xi,10xi,12xi,13xi,22xi)-4,7,14,15,20-Pentahydroxy-7alpha,15alpha,17xi,25xi-4,9-epoxycevane-3,16-diyl diacetate
| Molecular Formula | C31H47NO10 |
|---|---|
| Molecular Weight | 593.32 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 593.32 |
| Heavy Atoms | 42 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 24381-53-1 |
|---|---|
| SMILES | CC1CCC2[C@@](C3C(CN2C1)C4CC56C([C@@]4([C@H](C3OC(=O)C)O)O)[C@@H](CC7C5(CCC(C7(O6)O)OC(=O)C)C)O)(C)O |
| InChIKey | LDTMLMHQMYAMSL-PCHANGAHSA-N |
Product Overview
4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate (CAS 24381-53-1), with molecular formula C31H47NO10 and molecular weight 593.32 g/mol. IUPAC: [(10S,13S,14S,16R)-12-acetyloxy-10,13,14,16,23-pentahydroxy-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 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate
Property Insights of 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate. The TPSA of 166.0 Ų indicates high polarity, suggesting 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate?
The CAS number of 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate is 24381-53-1.
What is the molecular formula of 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate?
The molecular formula of 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate is C31H47NO10.
What is the molecular weight of 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate?
The molecular weight of 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate is 593.32 g/mol.
Where can I buy 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate?
You can request a quote for 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.