Benzylbutyrolactone lignan
TL;DR: Benzylbutyrolactone lignan (CAS 108102-77-8) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
Also Known As: Arctigenin deriv., Benzylbutyrolactone lignan, (4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one, J1.051.199B, (4R)-4-(3,4-Dimethoxybenzyl)tetrahydrofuran-2-one
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 108102-77-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C[C@@H]2CC(=O)OC2)OC |
| InChIKey | XGCHNUTYBFDTPY-SNVBAGLBSA-N |
Product Overview
Benzylbutyrolactone lignan (CAS 108102-77-8), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: (4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one.
Chemical Property Profile of Benzylbutyrolactone lignan
Property Insights of Benzylbutyrolactone lignan
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylbutyrolactone lignan. With a topological polar surface area (TPSA) of 44.8 Ų, Benzylbutyrolactone lignan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylbutyrolactone lignan has 0 hydrogen bond donor(s) and 4 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 Benzylbutyrolactone lignan?
The CAS number of Benzylbutyrolactone lignan is 108102-77-8.
What is the molecular formula of Benzylbutyrolactone lignan?
The molecular formula of Benzylbutyrolactone lignan is C13H16O4.
What is the molecular weight of Benzylbutyrolactone lignan?
The molecular weight of Benzylbutyrolactone lignan is 236.10 g/mol.
Where can I buy Benzylbutyrolactone lignan?
You can request a quote for Benzylbutyrolactone lignan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylbutyrolactone lignan?
Yes, KEHONG BIO provides custom synthesis services for Benzylbutyrolactone lignan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.