Didrovaltrate
TL;DR: Didrovaltrate (CAS 18296-45-2) is a chemical compound with molecular formula C22H32O8 and molecular weight 424.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
Also Known As: Didrovaltrate, Didrovaltratum, Dihydrovaltrate, Didrovaltrato, Dihydroisovaltrate
| Molecular Formula | C22H32O8 |
|---|---|
| Molecular Weight | 424.21 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 424.20972 |
| Heavy Atoms | 30 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 18296-45-2 |
|---|---|
| SMILES | CC(C)CC(=O)OCC1=CO[C@H]([C@H]2[C@@H]1C[C@@H]([C@]23CO3)OC(=O)C)OC(=O)CC(C)C |
| InChIKey | PHHROXLDZHUIGO-PNBTUHDLSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Didrovaltrate (CAS 18296-45-2), with molecular formula C22H32O8 and molecular weight 424.21 g/mol. IUPAC: [(1S,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate.
Chemical Property Profile of Didrovaltrate
Property Insights of Didrovaltrate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Didrovaltrate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Didrovaltrate. Following Lipinski's Rule of Five, Didrovaltrate has 0 hydrogen bond donor(s) and 8 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 Didrovaltrate?
The CAS number of Didrovaltrate is 18296-45-2.
What is the molecular formula of Didrovaltrate?
The molecular formula of Didrovaltrate is C22H32O8.
What is the molecular weight of Didrovaltrate?
The molecular weight of Didrovaltrate is 424.21 g/mol.
Where can I buy Didrovaltrate?
You can request a quote for Didrovaltrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Didrovaltrate?
Yes, KEHONG BIO provides custom synthesis services for Didrovaltrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.