Butyrolactone III
TL;DR: Butyrolactone III (CAS 87414-45-7) is a chemical compound with molecular formula C24H24O8 and molecular weight 440.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
Also Known As: Butyrolactone III, J3.646.194B, (R)-4-Hydroxy-3-(4-hydroxyphenyl)-2-[[4-hydroxy-3-(2,3-epoxy-3-methyl-butane-1-yl)phenyl]methyl]-5-oxo-2,5-dihydrofuran-2-carboxylic acid methyl ester, methyl (2R)-2-({3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl}methyl)-4-hydroxy-3-(4-hydroxyphenyl)-5-oxo-2,5-dihydrofuran-2-carboxylate, RefChem:571899
| Molecular Formula | C24H24O8 |
|---|---|
| Molecular Weight | 440.15 g/mol |
| LogP | 2.7981 |
| Topological Polar Surface Area | 125.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.14713 |
| Heavy Atoms | 32 |
| Complexity | 1115.3192 |
Chemical Identifiers
| CAS Number | 87414-45-7 |
|---|---|
| SMILES | CC1(C(O1)CC2=C(C=CC(=C2)C[C@@]3(C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C(=O)OC)O)C |
Product Overview
Butyrolactone III (CAS 87414-45-7), with molecular formula C24H24O8 and molecular weight 440.15 g/mol. IUPAC: methyl (2R)-2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate.
Chemical Property Profile of Butyrolactone III
Property Insights of Butyrolactone III
The XLogP value of 2.7981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyrolactone III. The TPSA of 125.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyrolactone III. Following Lipinski's Rule of Five, Butyrolactone III has 3 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 Butyrolactone III?
The CAS number of Butyrolactone III is 87414-45-7.
What is the molecular formula of Butyrolactone III?
The molecular formula of Butyrolactone III is C24H24O8.
What is the molecular weight of Butyrolactone III?
The molecular weight of Butyrolactone III is 440.15 g/mol.
Where can I buy Butyrolactone III?
You can request a quote for Butyrolactone III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrolactone III?
Yes, KEHONG BIO provides custom synthesis services for Butyrolactone III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.