RefChem:305376
TL;DR: RefChem:305376 (CAS 972-63-4) is a chemical compound with molecular formula C17H22O6 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3,4-trimethoxy-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-5-yl)propanoic acid
Also Known As: beta-(6-Oxo-2,3,4-trimethoxybenzocycloheptan-5-yl)propionic acid, 6,7,8,9-Tetrahydro-6-oxo-2,3,4-trimethoxy-5H-benzocycloheptene-5-propanoic acid, 6-Oxo-2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-propanoic acid, 3-(2,3,4-trimethoxy-6-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-yl)propanoic acid, 5H-Benzocycloheptene-5-propanoic acid, 6,7,8,9-tetrahydro-6-oxo-2,3,4-trimethoxy-
| Molecular Formula | C17H22O6 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.14163 |
| Heavy Atoms | 23 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 972-63-4 |
|---|---|
| SMILES | COC1=C(C(=C2C(C(=O)CCCC2=C1)CCC(=O)O)OC)OC |
| InChIKey | SUMAXQBVIKKRMD-UHFFFAOYSA-N |
Product Overview
RefChem:305376 (CAS 972-63-4), with molecular formula C17H22O6 and molecular weight 322.14 g/mol. IUPAC: 3-(2,3,4-trimethoxy-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-5-yl)propanoic acid.
Chemical Property Profile of RefChem:305376
Property Insights of RefChem:305376
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305376. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305376. Following Lipinski's Rule of Five, RefChem:305376 has 1 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:305376?
The CAS number of RefChem:305376 is 972-63-4.
What is the molecular formula of RefChem:305376?
The molecular formula of RefChem:305376 is C17H22O6.
What is the molecular weight of RefChem:305376?
The molecular weight of RefChem:305376 is 322.14 g/mol.
Where can I buy RefChem:305376?
You can request a quote for RefChem:305376 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305376?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305376 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.