![1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one structure](/static/products/2731/2731-36-4.webp)
1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one
TL;DR: 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one (CAS 2731-36-4) is a chemical compound with molecular formula C20H20O5 and molecular weight 340.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one
Also Known As: 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one, 1,2,3,9-Tetramethoxybenzo[a]heptalen-10(5H)-one
| Molecular Formula | C20H20O5 |
|---|---|
| Molecular Weight | 340.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.13107 |
| Heavy Atoms | 25 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 2731-36-4 |
|---|---|
| SMILES | COC1=CC2=C(C=CC1=O)C3=C(C(=C(C=C3CC=C2)OC)OC)OC |
| InChIKey | NCZPXNZTZCVAGH-UHFFFAOYSA-N |
Product Overview
1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one (CAS 2731-36-4), with molecular formula C20H20O5 and molecular weight 340.13 g/mol. IUPAC: 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one.
Chemical Property Profile of 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one
Property Insights of 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one. With a topological polar surface area (TPSA) of 54.0 Ų, 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one has 0 hydrogen bond donor(s) and 5 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 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one?
The CAS number of 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one is 2731-36-4.
What is the molecular formula of 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one?
The molecular formula of 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one is C20H20O5.
What is the molecular weight of 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one?
The molecular weight of 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one is 340.13 g/mol.
Where can I buy 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one?
You can request a quote for 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.