Acevaltrate
TL;DR: Acevaltrate (CAS 25161-41-5) is a chemical compound with molecular formula C24H32O10 and molecular weight 480.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate
Also Known As: Acevaltrate, Acevaltratum, Acetoxyvaltrate, Acetovaltrate, Acevaltrato
| Molecular Formula | C24H32O10 |
|---|---|
| Molecular Weight | 480.20 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 480.19955 |
| Heavy Atoms | 34 |
| Complexity | 915.0 |
Chemical Identifiers
| CAS Number | 25161-41-5 |
|---|---|
| SMILES | CC(C)CC(=O)O[C@H]1[C@H]2C(=C[C@@H]([C@]23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C |
| InChIKey | FWKBQAVMKVZEOT-STCFVSJZSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acevaltrate (CAS 25161-41-5), with molecular formula C24H32O10 and molecular weight 480.20 g/mol. IUPAC: [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate.
Chemical Property Profile of Acevaltrate
Property Insights of Acevaltrate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acevaltrate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acevaltrate. Following Lipinski's Rule of Five, Acevaltrate has 0 hydrogen bond donor(s) and 10 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 Acevaltrate?
The CAS number of Acevaltrate is 25161-41-5.
What is the molecular formula of Acevaltrate?
The molecular formula of Acevaltrate is C24H32O10.
What is the molecular weight of Acevaltrate?
The molecular weight of Acevaltrate is 480.20 g/mol.
Where can I buy Acevaltrate?
You can request a quote for Acevaltrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acevaltrate?
Yes, KEHONG BIO provides custom synthesis services for Acevaltrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.