Hexahydromyrothecic acid dimethyl
TL;DR: Hexahydromyrothecic acid dimethyl (CAS 29953-53-5) is a chemical compound with molecular formula C16H28O6 and molecular weight 316.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(5-methoxy-5-oxopentyl)-5-methyl-1,3-dioxolan-2-yl]-3-methylbutanoate
Also Known As: Hexahydromyrothecic acid dimethyl, Myrothecic acid, hexahydro-, dimethyl ester, methyl 4-[4-(5-methoxy-5-oxopentyl)-5-methyl-1,3-dioxolan-2-yl]-3-methylbutanoate, Methyl 5-[2-(4-methoxy-2-methyl-4-oxobutyl)-5-methyl-1,3-dioxolan-4-yl]pentanoate, Methyl 5-[2-(4-methoxy-2-methyl-4-oxobutyl)-5-methyl-1,3-dioxolan-4-yl]pentanoate #
| Molecular Formula | C16H28O6 |
|---|---|
| Molecular Weight | 316.19 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 316.1886 |
| Heavy Atoms | 22 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 29953-53-5 |
|---|---|
| SMILES | CC1C(OC(O1)CC(C)CC(=O)OC)CCCCC(=O)OC |
| InChIKey | ZKSRSWAPEZNXSR-UHFFFAOYSA-N |
Product Overview
Hexahydromyrothecic acid dimethyl (CAS 29953-53-5), with molecular formula C16H28O6 and molecular weight 316.19 g/mol. IUPAC: methyl 4-[4-(5-methoxy-5-oxopentyl)-5-methyl-1,3-dioxolan-2-yl]-3-methylbutanoate.
Chemical Property Profile of Hexahydromyrothecic acid dimethyl
Property Insights of Hexahydromyrothecic acid dimethyl
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydromyrothecic acid dimethyl. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexahydromyrothecic acid dimethyl. Following Lipinski's Rule of Five, Hexahydromyrothecic acid dimethyl has 0 hydrogen bond donor(s) and 6 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 Hexahydromyrothecic acid dimethyl?
The CAS number of Hexahydromyrothecic acid dimethyl is 29953-53-5.
What is the molecular formula of Hexahydromyrothecic acid dimethyl?
The molecular formula of Hexahydromyrothecic acid dimethyl is C16H28O6.
What is the molecular weight of Hexahydromyrothecic acid dimethyl?
The molecular weight of Hexahydromyrothecic acid dimethyl is 316.19 g/mol.
Where can I buy Hexahydromyrothecic acid dimethyl?
You can request a quote for Hexahydromyrothecic acid dimethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydromyrothecic acid dimethyl?
Yes, KEHONG BIO provides custom synthesis services for Hexahydromyrothecic acid dimethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.