![4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid structure](/static/products/780/780779-14-8.png)
4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid
TL;DR: 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid (CAS 780779-14-8) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxy-1,3-dimethyl-8-oxocyclohepta[c]pyrrol-2-yl)benzoic acid
Also Known As: BAS 07248952, 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid, 4-(4-methoxy-1,3-dimethyl-8-oxocyclohepta[c]pyrrol-2-yl)benzoic acid, 4-(8-Methoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]pyrrol-2-yl)-benzoic acid, 4-[4-METHOXY-1,3-DIMETHYL-8-OXOCYCLOHEPTA[C]PYRROL-2(8H)-YL]BENZOIC ACID
| Molecular Formula | C19H17NO4 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 3.31434 |
| Topological Polar Surface Area | 68.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.11575 |
| Heavy Atoms | 24 |
| Complexity | 1000.5359 |
Chemical Identifiers
| CAS Number | 780779-14-8 |
|---|---|
| SMILES | CC1=C2C(=O)C=CC=C(C2=C(N1C3=CC=C(C=C3)C(=O)O)C)OC |
Product Overview
4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid (CAS 780779-14-8), with molecular formula C19H17NO4 and molecular weight 323.12 g/mol. IUPAC: 4-(4-methoxy-1,3-dimethyl-8-oxocyclohepta[c]pyrrol-2-yl)benzoic acid.
Chemical Property Profile of 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid
Property Insights of 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid
The XLogP value of 3.31434 indicates that 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid has 1 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 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid?
The CAS number of 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid is 780779-14-8.
What is the molecular formula of 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid?
The molecular formula of 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid is C19H17NO4.
What is the molecular weight of 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid?
The molecular weight of 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid is 323.12 g/mol.
Where can I buy 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid?
You can request a quote for 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(8-methoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.