7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate
TL;DR: 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate (CAS 29832-29-9) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-oxocyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
Also Known As: Fluoroacetylchloride, 2-Methacryloxytropone, 2-Methacryloyloxy-tropon, NCIOpen2_000946, (C11-H10-O3)mult-
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 29832-29-9 |
|---|---|
| SMILES | CC(=C)C(=O)OC1=CC=CC=CC1=O |
| InChIKey | BHKQCZGFIQOMFC-UHFFFAOYSA-N |
Product Overview
7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate (CAS 29832-29-9), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: (7-oxocyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate.
Chemical Property Profile of 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate
Property Insights of 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate. With a topological polar surface area (TPSA) of 43.4 Ų, 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate 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 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate?
The CAS number of 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate is 29832-29-9.
What is the molecular formula of 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate?
The molecular formula of 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate is C11H10O3.
What is the molecular weight of 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate?
The molecular weight of 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate is 190.06 g/mol.
Where can I buy 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate?
You can request a quote for 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxocyclohepta-1,3,5-trien-1-YL 2-methylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.