RefChem:337004
TL;DR: RefChem:337004 (CAS 63883-19-2) is a chemical compound with molecular formula C19H18O6 and molecular weight 342.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxypropyl 2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetate
Also Known As: 2,3-Dihydroxypropyl 6,11-dihydro-11-oxodibenz(b,e)oxepin-3-acetate, Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-11-oxo-, (2,3-dihydroxypropyl) ester, 2,3-dihydroxypropyl (11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl)acetate, 2,3-dihydroxypropyl 2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetate, Dibenz[b,e]oxepin-3-acetic acid, 6,11-dihydro-11-oxo-, 2,3-dihydroxypropyl ester
| Molecular Formula | C19H18O6 |
|---|---|
| Molecular Weight | 342.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.11035 |
| Heavy Atoms | 25 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 63883-19-2 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)C3=C(O1)C=C(C=C3)CC(=O)OCC(CO)O |
| InChIKey | MLBJASFXUVNGLK-UHFFFAOYSA-N |
Product Overview
RefChem:337004 (CAS 63883-19-2), with molecular formula C19H18O6 and molecular weight 342.11 g/mol. IUPAC: 2,3-dihydroxypropyl 2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetate.
Chemical Property Profile of RefChem:337004
Property Insights of RefChem:337004
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:337004. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:337004. Following Lipinski's Rule of Five, RefChem:337004 has 2 hydrogen bond donor(s) and 6 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 RefChem:337004?
The CAS number of RefChem:337004 is 63883-19-2.
What is the molecular formula of RefChem:337004?
The molecular formula of RefChem:337004 is C19H18O6.
What is the molecular weight of RefChem:337004?
The molecular weight of RefChem:337004 is 342.11 g/mol.
Where can I buy RefChem:337004?
You can request a quote for RefChem:337004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337004?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.