Methyl Galbanate
TL;DR: Methyl Galbanate (CAS 187656-14-0) is a chemical compound with molecular formula C25H32O5 and molecular weight 412.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(1S,2S,3S)-2,3-dimethyl-2-[(2-oxochromen-7-yl)oxymethyl]-6-propan-2-ylidenecyclohexyl]propanoate
Also Known As: methyl galbanate, Galbanic acid methyl ester, J2.443.820A, methyl 3-[(1S,2S,3S)-2,3-dimethyl-2-[(2-oxochromen-7-yl)oxymethyl]-6-propan-2-ylidenecyclohexyl]propanoate, methyl 3-[(1S,2S,3S)-2,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl]propanoate
| Molecular Formula | C25H32O5 |
|---|---|
| Molecular Weight | 412.22 g/mol |
| LogP | 5.5138 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.22498 |
| Heavy Atoms | 30 |
| Complexity | 998.0112 |
Chemical Identifiers
| CAS Number | 187656-14-0 |
|---|---|
| SMILES | C[C@H]1CCC(=C(C)C)[C@@H]([C@@]1(C)COC2=CC3=C(C=C2)C=CC(=O)O3)CCC(=O)OC |
Product Overview
Methyl Galbanate (CAS 187656-14-0), with molecular formula C25H32O5 and molecular weight 412.22 g/mol. IUPAC: methyl 3-[(1S,2S,3S)-2,3-dimethyl-2-[(2-oxochromen-7-yl)oxymethyl]-6-propan-2-ylidenecyclohexyl]propanoate.
Chemical Property Profile of Methyl Galbanate
Property Insights of Methyl Galbanate
The XLogP value of 5.5138 indicates that Methyl Galbanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl Galbanate. Following Lipinski's Rule of Five, Methyl Galbanate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl Galbanate?
The CAS number of Methyl Galbanate is 187656-14-0.
What is the molecular formula of Methyl Galbanate?
The molecular formula of Methyl Galbanate is C25H32O5.
What is the molecular weight of Methyl Galbanate?
The molecular weight of Methyl Galbanate is 412.22 g/mol.
Where can I buy Methyl Galbanate?
You can request a quote for Methyl Galbanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl Galbanate?
Yes, KEHONG BIO provides custom synthesis services for Methyl Galbanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.