4-Benzylactone
TL;DR: 4-Benzylactone (CAS 7180-86-1) is a chemical compound with molecular formula C20H18O7 and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-4-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]-3-(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
Also Known As: parabenzlactone, para-Benzlactone, 4-Benzylactone, (-)-Parabenzlactone, (3R,4R)-4-[(R)-(2H-1,3-benzodioxol-5-yl)(hydroxy)methyl]-3-[(2H-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
| Molecular Formula | C20H18O7 |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.10526 |
| Heavy Atoms | 27 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 7180-86-1 |
|---|---|
| SMILES | C1[C@@H]([C@H](C(=O)O1)CC2=CC3=C(C=C2)OCO3)[C@H](C4=CC5=C(C=C4)OCO5)O |
| InChIKey | NHMODCAASJDQKF-TYILLQQXSA-N |
Product Overview
4-Benzylactone (CAS 7180-86-1), with molecular formula C20H18O7 and molecular weight 370.11 g/mol. IUPAC: (3R,4R)-4-[(R)-1,3-benzodioxol-5-yl(hydroxy)methyl]-3-(1,3-benzodioxol-5-ylmethyl)oxolan-2-one.
Chemical Property Profile of 4-Benzylactone
Property Insights of 4-Benzylactone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylactone. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzylactone. Following Lipinski's Rule of Five, 4-Benzylactone 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 4-Benzylactone?
The CAS number of 4-Benzylactone is 7180-86-1.
What is the molecular formula of 4-Benzylactone?
The molecular formula of 4-Benzylactone is C20H18O7.
What is the molecular weight of 4-Benzylactone?
The molecular weight of 4-Benzylactone is 370.11 g/mol.
Where can I buy 4-Benzylactone?
You can request a quote for 4-Benzylactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylactone?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.