2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl-
TL;DR: 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl- (CAS 3993-46-2) is a chemical compound with molecular formula C16H16Br2O4 and molecular weight 429.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxochromen-7-yl] acetate
Also Known As: 7-Acetoxy-6-(2,3-dibromopropyl)-4,8-dimethylcoumarin, 2,4,4-Trimethyl-1-pentanol, 7-Acetoxy-6-(2',3'-dibromopropyl)-4,8-dimethylcoumarin, [6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxochromen-7-yl] acetate, 6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxo-2h-chromen-7-yl acetate
| Molecular Formula | C16H16Br2O4 |
|---|---|
| Molecular Weight | 429.94 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.93948 |
| Heavy Atoms | 22 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 3993-46-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=C(C(=C2C)OC(=O)C)CC(CBr)Br |
| InChIKey | FCDMHZRMXOOYRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl- (CAS 3993-46-2), with molecular formula C16H16Br2O4 and molecular weight 429.94 g/mol. IUPAC: [6-(2,3-dibromopropyl)-4,8-dimethyl-2-oxochromen-7-yl] acetate.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl-
Property Insights of 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl-
The XLogP value of 3.8 indicates that 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl- 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 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl-?
The CAS number of 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl- is 3993-46-2.
What is the molecular formula of 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl-?
The molecular formula of 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl- is C16H16Br2O4.
What is the molecular weight of 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl-?
The molecular weight of 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl- is 429.94 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl-?
You can request a quote for 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 7-(acetyloxy)-6-(2,3-dibromopropyl)-4,8-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.