Valtroxal
TL;DR: Valtroxal (CAS 71013-41-7) is a chemical compound with molecular formula C17H22O7 and molecular weight 338.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(acetyloxymethyl)-7-formyl-1-hydroxy-3,7a-dihydro-1H-cyclopenta[c]pyran-4-yl] 3-methylbutanoate
Also Known As: Valtroxal, Butanoic acid, 3-methyl-, 4-((acetyloxy)methyl)-7-formyl-1,3,4,7a-tetrahydro-1-hydroxycyclopenta(c)pyran-4-yl ester, [4-(acetyloxymethyl)-7-formyl-1-hydroxy-3,7a-dihydro-1H-cycl, [4-(acetyloxymethyl)-7-formyl-1-hydroxy-3,7a-dihydro-1H-cyclopenta[c]pyran-4-yl] 3-methylbutanoate, 4-[(Acetyloxy)methyl]-7-formyl-1-hydroxy-1,3,4,7a-tetrahydrocyclopenta[c]pyran-4-yl 3-methylbutanoate
| Molecular Formula | C17H22O7 |
|---|---|
| Molecular Weight | 338.14 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.13657 |
| Heavy Atoms | 24 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 71013-41-7 |
|---|---|
| SMILES | CC(C)CC(=O)OC1(COC(C2C1=CC=C2C=O)O)COC(=O)C |
| InChIKey | WBCKSAACKDSJQC-UHFFFAOYSA-N |
Product Overview
Valtroxal (CAS 71013-41-7), with molecular formula C17H22O7 and molecular weight 338.14 g/mol. IUPAC: [4-(acetyloxymethyl)-7-formyl-1-hydroxy-3,7a-dihydro-1H-cyclopenta[c]pyran-4-yl] 3-methylbutanoate.
Chemical Property Profile of Valtroxal
Property Insights of Valtroxal
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valtroxal. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Valtroxal. Following Lipinski's Rule of Five, Valtroxal 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 Valtroxal?
The CAS number of Valtroxal is 71013-41-7.
What is the molecular formula of Valtroxal?
The molecular formula of Valtroxal is C17H22O7.
What is the molecular weight of Valtroxal?
The molecular weight of Valtroxal is 338.14 g/mol.
Where can I buy Valtroxal?
You can request a quote for Valtroxal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valtroxal?
Yes, KEHONG BIO provides custom synthesis services for Valtroxal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.