3-Allyl-beta-lapachone
TL;DR: 3-Allyl-beta-lapachone (CAS 7154-45-2) is a chemical compound with molecular formula C18H18O3 and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3-prop-2-enyl-3,4-dihydrobenzo[h]chromene-5,6-dione
Also Known As: 3-Allyl-beta-lapachone, 3,4-Dihydro-2,2-dimethyl-3-(2-propenyl)-2H-naphtho(1,2-b)pyran-5,6-dione, 2,2-dimethyl-3-prop-2-enyl-3,4-dihydrobenzo[h]chromene-5,6-dione, 2,2-DIMETHYL-3-(PROP-2-EN-1-YL)-2H,3H,4H,5H,6H-NAPHTHO[1,2-B]PYRAN-5,6-DIONE, 2,2-Dimethyl-3-(prop-2-en-1-yl)-3,4-dihydro-2H-naphtho[1,2-b]pyran-5,6-dione
| Molecular Formula | C18H18O3 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.12558 |
| Heavy Atoms | 21 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 7154-45-2 |
|---|---|
| SMILES | CC1(C(CC2=C(O1)C3=CC=CC=C3C(=O)C2=O)CC=C)C |
| InChIKey | YFQUWLQTHVIBJA-UHFFFAOYSA-N |
Product Overview
3-Allyl-beta-lapachone (CAS 7154-45-2), with molecular formula C18H18O3 and molecular weight 282.13 g/mol. IUPAC: 2,2-dimethyl-3-prop-2-enyl-3,4-dihydrobenzo[h]chromene-5,6-dione.
Chemical Property Profile of 3-Allyl-beta-lapachone
Property Insights of 3-Allyl-beta-lapachone
The XLogP value of 3.2 indicates that 3-Allyl-beta-lapachone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Allyl-beta-lapachone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-beta-lapachone has 0 hydrogen bond donor(s) and 3 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 3-Allyl-beta-lapachone?
The CAS number of 3-Allyl-beta-lapachone is 7154-45-2.
What is the molecular formula of 3-Allyl-beta-lapachone?
The molecular formula of 3-Allyl-beta-lapachone is C18H18O3.
What is the molecular weight of 3-Allyl-beta-lapachone?
The molecular weight of 3-Allyl-beta-lapachone is 282.13 g/mol.
Where can I buy 3-Allyl-beta-lapachone?
You can request a quote for 3-Allyl-beta-lapachone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-beta-lapachone?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-beta-lapachone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.